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shake routine and ncon parameter

0 0 1k
answers votes views
Trying to do molecular dynamics with explicit water molecules I came across a problem with SHAKE routine: shake ...
Posted: zltn 1 Oct 27 '11 at 13:51

Using CYANA and ARIA to caluclate structure of protein

2 0 4k
answers votes views
Could you please describe about advantages of CYANA2.1 and ARIA1.2 software to calculate the structure of protein ? w...
Updated: sri 71 Oct 28 '11 at 03:01

relation of T2 relaxation time to gradient strengths

0 0 2k
answers votes views
to detect short T2 NMR relaxation time, we use high gradient strengths. but how? what is the relation? what is the mecha...
Posted: shanthi pagadala 1 Oct 21 '11 at 01:19

Transfering programs from varian INOVA to VNMRS

3 0 6k
answers votes views
I have pulse programs which work great on our varian INOVA instruments, but when I transfer them to varian VNMRS I get e...
Updated: mikaelastewart 11 Nov 02 '11 at 08:15

Problem running spincad (vnmrj command)

1 1 4k
answers votes views
When I try to launch the spincad utility in the command line of VNMRJ v. 2.2c I get the following error: Error in start...
Updated: dkubicki 11 Nov 01 '11 at 11:26

unusual tyrosine cross peaks

3 1 5k
answers votes views
Hi I am observing some unexpected cross peaks in some homonuclear protein data and I was wanting to know if anyone had a...
Posted: Thomas Garner 81 / Updated: james han 1 Aug 01 '16 at 21:28

Simple 1H-NMR Assignment Query

4 1 5k
answers votes views
Hi guys, sorry to be really cheeky and sign up simply to ask for help, but here goes. I've done a simple Grignard addit...
Posted: Brianstorm 11 / Updated: 3nath 11 Oct 26 '11 at 12:53

Problem with the gradient shimming

4 0 8k
answers votes views
Dear Friends, I've recently encountered a problem with gradient shimming that has never happened to me before. I can't ...
Posted: dkubicki 11 / Updated: Charlie Fry 91 Nov 16 '12 at 09:02

Side chain assignment of C-terminal residue

2 0 4k
answers votes views
Dear Friends, I am not able to figure out how to determine the side chain assignment of Last C-terminal SERINE residue...
Posted: Arun Gupta 11 / Updated: Andrew Fowler 96 Oct 11 '11 at 09:24

Tuning and matching problem on atma command

0 0 5k
answers votes views
hello nmr wikier I am using Z-gradiant BBI probe on bruker AV-500 since last weak I am facing tuning and matching proble...
Posted: feroon 21 Oct 05 '11 at 08:16

T1 Rho relaxation

2 0 10764
answers votes views
I am looking for some guidance on researching T1rho relaxation. Does anybody have updated information or references to e...
Posted: Robert Bussell 1 / Updated: Alexey Potapov 21 Oct 15 '11 at 04:56

Line broadening in nmr

5 0 9k
answers votes views
Hello can some body help me in understanding the line broadening effect in NMR? I am working with protein and small mol...
Posted: fatima A 1 / Updated: Evgeny Fadeev 577●1 Oct 12 '11 at 07:25

Calibrate HCCH-TOCSY spectrum with reference to HBHACONH

1 0 4k
answers votes views
I am facing problems in calibration of my HCCH-TOCSY spectrum in reference to HBHACONH and HCCCONH spectrum. Can somebo...
Posted: Arun Gupta 11 / Updated: Yoan Monneau 136 Oct 02 '11 at 11:10

Can anyone help me with Saturation Transfer NMR

2 1 5k
answers votes views
Hi I am working on a Varian 500MHz NMR. I am attempting to use the pulse sequence satxfer1D to measure the rate constant...
Posted: njmagarian 11 / Updated: Justin Frank 1 Jun 29 '16 at 19:30

Auto assignment of N15 C13 EDIT noesy experments

1 0 4k
answers votes views
Dear NMR wikiers could you please suggest any auto assignment web servers online to assign N-15 & C13- EDIT NOESY...
Updated: sri 71 Oct 17 '11 at 10:20

Beginners question: checking probe and multinulear ability in Bruker machines

2 1 16683
answers votes views
Hi All, This may be a daft question, but how do I go about identifying the probe in our NMR machine, and hence whether ...
Posted: blankchem 11 / Updated: Kirk Marat 711 Jul 04 '14 at 08:51

h2bc experiment

2 1 6k
answers votes views
Hello nmr wikier I want to run pulprog h2bcetgpl3 on bruker instrument using adiabiatic shape pulse crp60comp.4 I determ...
Posted: feroon 21 / Updated: zablociak 21 May 30 '14 at 13:21

Why do unpaired electrons make NMR measurements difficult?

2 1 9k
answers votes views
Can someone please answer this for me? ...
Posted: TShpiruk 11 / Updated: Partha Mukherjee 1 Sep 27 '11 at 06:43

Switiching off the receiver during acquisition

0 0 2k
answers votes views
Hello nmr wikier. I use Bruker Avance I AQS 400. TopSpin Version 1.3 For a test I want to switch off the receiver durin...
Posted: Mario 1 Sep 13 '11 at 05:27

h2bc experiment

0 0 2k
answers votes views
Hello nmr wikier I want to run pulprog h2bcetgpl3 using adiabiatic shape pulse crp60comp.4 now how I determine power lev...
Posted: feroon 21 Sep 13 '11 at 00:51

topshim giving worse lineshape

6 0 15047
answers votes views
HI ON bruker av-500 topshim giving worse line shape spectra for e.g it is getting the right keys but in wrong direction...
Posted: feroon 21 / Updated: John Hollerton 96 Jan 23 '13 at 02:57

sample not spining

1 0 3k
answers votes views
HI I am faceing spining problem on av-300 bruker instrument. I have change spinner,clean shim stack but the problem is s...
Posted: feroon 21 / Updated: Jerry Hirschinger 199 Sep 12 '11 at 09:31

NOESY+WET 2D artifacts

0 0 2k
answers votes views
When i run 2d noesy with wet suppression (Hypercomplex with phase=1,2, nt=32, so phasecycle errors should be excluded)),...
Posted: Nikolay Boev 41 Sep 07 '11 at 06:07

modulo or integer division in topspin

1 0 4k
answers votes views
Hi! is there a possibility to perform an integer division or a modulo calculation in topspin 2.1? Thank you! ...
Posted: guma 1 / Updated: Clemens Anklin 416 Sep 06 '11 at 11:47

13C quaternary centers in amino acids

2 0 5k
answers votes views
I've got a sample of about 5mg of an amino acid that is the final product of a a synthesis. Due to the long relaxation t...
Posted: Eneas 1 / Updated: Matthew Revington 41 Sep 06 '11 at 09:04

Import peaklist

0 0 5k
answers votes views
Hi everybody! I have just started to work with TopSpin 3.1, though already faced a problem. I have an 15N-1H HSQC spectr...
Posted: elena 1 / Updated: Clemens Anklin 416 Sep 06 '11 at 11:54

Tuning probe failed after a dual probe was replaced with a BBI probe

2 0 4k
answers votes views
We generally use Dual to run 13C and BBI to run 2D. After changed the probe, the command "edhead" was used to set the pr...
Posted: Yaming Xu 1 / Updated: Paul 1 Aug 31 '11 at 14:02

NMRPipe: propagating resonance positions to multiple spectra

1 0 4k
answers votes views
Hello, Is it possible in NMRPipe to: Generate a peak table for a new spectrum using the resonance positions in an exi...
Updated: vvostri 11 Aug 23 '11 at 13:58

Help for Boron 11 NMR!

10 1 17509
answers votes views
I'm using a Bruker 300 NMR, equipped with a BBO probe, to do Boron 11 NMR. But I got no signal no matter what pulse leng...
Posted: Chemuri 11 / Updated: Jim Lin 1 Apr 14 '15 at 06:47

Odd 1D-ROESY Result

0 1 2k
answers votes views
Hello, I've been trying to assign peaks in a proton spectrum of a highly dynamic ring, namely 2-deutero-diselenane. Th...
Posted: K G 11 Aug 07 '11 at 16:08

varian-topspin conversion processing artifacts?

1 0 7k
answers votes views
I have been using topspin to process data recorded on a varian magnet, when processing a 13C-HSQC I noticed one of my pe...
Posted: Thomas Garner 81 / Updated: bernie o'hare 111 Aug 06 '11 at 10:22

1,n-ADEQUATE setup

2 1 8k
answers votes views
I need to measure the 4-bond coupling into a group of unassigned quaternary carbons. I would like to use the 1,n-ADEQUAT...
Posted: Bowling 11 / Updated: Hessen 1 Jan 31 '15 at 13:56

Varian Gemini 300 Transmitter Board Indicator Lights

1 0 4k
answers votes views
I am having problems with a Varian Gemini 300 console. During the troubleshooting process, I noticed that the number of...
Posted: nz402 1 / Updated: cal carpenter 11 Jul 23 '11 at 10:15

NMR Lock signal

1 0 5k
answers votes views
THis is my lock signal....what is up with it, and what do I do? https://picasaweb.google.com/113100759436397078363/LockS...
Updated: Jonathon Knight 1 Jul 25 '11 at 05:47

What is the violation statistics best practice?

1 1 4k
answers votes views
I am wondering whether anyone knows if there is an established "best practice" on how many restraint violations (distanc...
Posted: Sally 11 / Updated: Yoan Monneau 136 Jul 20 '11 at 03:44

Looking for hsqc-based ZZ exchange bruker pulse program

1 1 6k
answers votes views
hi nmrwikier ! Anyone know if the hsqc-based zz exchange pulse prog developed by Farrow et al. (1994) is available on s...
Updated: Yoan Monneau 136 Jul 07 '11 at 03:21

c13 filter noesy experment for homodimer protein

1 0 4k
answers votes views
Dear NMR wikiers I would like to take c13 filter noesy experment ( this experment explore residues of the interface of...
Updated: sri 71 Jul 05 '11 at 10:56

exporting part of data to excel, origin

1 0 5k
answers votes views
Hi, i'm new in TopSpin and i am blocked by a simple (i thinks) problem. I have a 1D specrtrum and i would like to export...
Posted: Assma El 1 / Updated: TJCarruthers 31 Aug 14 '11 at 20:57

peak missing in nh hsqc protein nmr

4 0 20322
answers votes views
Dear NMR wikiers I am assigning 95 aminoacid residue protein . I can see 76 cross peaks in N H HSQC on 700 vnmr cryob ...
Updated: sri 71 Aug 25 '11 at 00:05

NMR spectrometer Block diagram drawing

0 0 9k
answers votes views
What is the best program (recommended freeware) for drawing NMR spectrometer rf components (block diagram)? I now that t...
Posted: mustafa 1 / Updated: Jerry Hirschinger 199 Aug 22 '11 at 06:28

dmf problem in vnmr

1 1 5k
answers votes views
Hi, dear all, I try to use garp1 sequence for decoupling with the statement " obsprgon("garp1", pw, angle, 0) ". If an...
Updated: Frey 61 Jun 30 '11 at 06:14

Converting from 2 column data to Topspin fid

1 1 5k
answers votes views
I am new to Topspin and would like to know if a 2 column dataset (containing time versus intensity) can be converted int...
Posted: Arvind Ananthanarayanan 11 / Updated: bernie o'hare 111 Aug 06 '11 at 10:48

Dimer and tetramer equilibrium identification of protein with NMR experiments

2 0 8k
answers votes views
Dear nmr wikiers could you please let me know is their any nmr experment to identification of Dimer and tetramer equil...
Posted: sri 71 / Updated: Justin Frank 1 Jun 29 '16 at 19:09

negative NMR peaks

1 0 11949
answers votes views
I am very new to NMR and have little experience of it. However I am trying to use it to determine the composition of a m...
Posted: Dean Woods 1 / Updated: Assma El 1 Jul 18 '11 at 01:58

Impact of deuteration on relaxation rates PROTEIN NMR

1 0 4k
answers votes views
DEAR NMR WIKIERS IS THEIR ANY NMR EXPERMENT TO KNOW THE IMPACT OF DEUTERATION ON RELAXATION REATES OF C13,N15,H ALFA , ...
Posted: sri 71 / Updated: Evgeny Fadeev 577●1 Jun 21 '11 at 15:36

caluclation of duterium percentage of randomly deuterated protein

1 0 4k
answers votes views
Dear NMR WIKIERS , IS THEIR ANY NMR EXPERMENT ON 700 VNMR TO KNOW THE duterium percentage of randomly deuterated prote...
Posted: sri 71 / Updated: Evgeny Fadeev 577●1 Jun 21 '11 at 20:32

NMRPipe: re-integrate peaks

1 1 5k
answers votes views
Hello, I am familiarizing myself with NMRPipe and I have a question similar to the one already asked (http://qa.nmrwiki...
Updated: vvostri 11 Jun 14 '11 at 09:54

about sideband in solid-state NMR

2 1 12885
answers votes views
Hi, dear all, I've encounter a strange phenomemon. While the target speed of MAS was set to be 12kHz, the sidebands of ...
Posted: Frey 61 / Updated: Alexey Potapov 21 Jul 04 '11 at 10:17

Can correct TAUc be a sufficient evidence of the absence of aggregation?

2 0 7k
answers votes views
Hello! I am studying the protein backbone dynamics using the standard set of NMR relaxation parameters (R1, R2, NOE). ...
Posted: Andrey 1 / Updated: Yoan Monneau 136 Jul 01 '11 at 03:52

NMR resonance Lock

2 1 5k
answers votes views
I am running a varian gemini 300 on SUN microsystems with UNIX. I am trying to lock on my sample, and my lock is not sho...
Posted: MONOJON 11 / Updated: Jerry Hirschinger 199 Jun 16 '11 at 09:46
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