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Hi again, I have seen that one can directly incorporate Bruker shaped files into the simulation. Can one incorporate DFS or Hyperbolic Secant shapes as well?...
1 Nov 20, 2009
6:53 am

mithun_ron
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Dear all, I want to apply shaped pulses of the type DFS (Double Frequency Sweep) and Hyperbolic Secant. Can anyone give me some suggestions as to how to...
1 Nov 20, 2009
6:39 am

mithun_ron
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Hello, are there plans to add the ability to optimize frequency offsets for each element in shaped pulses. Thank you, Evgeny...
1 Nov 3, 2009
9:38 pm

evgeny.markhasin
evgeny.markh...
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Hi all, Simulating a spinning deuteron spectrum seems to require a large number of powder points-- if I use another simulation engine that uses ZCW alpha,...
1 Oct 17, 2009
10:34 pm

thebiggroves
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Hello All, I recently installed SIMPSON 1.1.2 on a new Linux machine (CentOS 5.3 64 bit). Everything runs fine except MINUIT optimization. I get the following...
1 Sep 22, 2009
4:27 pm

sivaphy
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Hello all I'm doing some simulations on various quadrupolar nuclei and am interested in extracting the full density matrix at various points in time during a...
1 Sep 15, 2009
2:24 pm

lukenmr
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I'm looking at example#6 in the 2000 Simpson JMR paper and was wondering what the variable mshot_fac represented: spinsys{... par { spin_rate 0 np...
1 Sep 11, 2009
7:47 am

miltont98
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Hello I'd like to fix the amplitude of a pulse shape element while the pulse is being optimized. I have tried the following: proc main {} { global par rfsh ...
2 Sep 3, 2009
9:54 am

Zdenek Tosner
ztosner
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Dear all, I'm a relatively new SIMPSON user.I have simulate the simple 1pulse spectra with two 1H located at -5p and 3p. But when I change the spin_rate,...
2 Sep 1, 2009
12:36 pm

Julien TREBOSC
jtrebosc
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Hello, I've been trying for several weeks to output the SIMPSON 1.12 simulated PISEMA spectrum of example 8, from the original Bak et al. (2000) SIMPSON paper,...
14 Aug 20, 2009
11:17 am

Jakob J. Lopez
jakobjlopez
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Hello, I have been trying to use Simpson(Tcl) to read nmrpipe binary file and not succeeded yet. I first remove the header in the nmrpipe file using the...
5 Aug 12, 2009
1:23 am

sivaphy
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Dear All, I have been trying to put Bruker shape file in simpson program. The atachement Dr. Thomas Vosegaard has provided long back (Nov 19 2007) is not seen....
9 Aug 11, 2009
3:04 pm

mychemistry2001
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Hi everyone, I'm trying to simulate a 2D Heteronuclear Correlation sequence found in this paper: R. Fu et al 2007, Journal Magnetic Resonance 118 41-48. I'm...
1 Jul 7, 2009
5:44 pm

miltont98
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Hi Everyone, I want to generate a two-dimensional grid of CSA lineshapes with delta and eta. Is it possible to do that with SIMPSON? What is the command? ...
2 Jun 26, 2009
3:59 pm

Thomas Vosegaard
vosegaard
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Hello Everyone, I am trying to simulate 1H-15N dipolar lineshape using R18(1,7). I have attached my simpson code at the end. I get the following error message...
3 Jun 25, 2009
3:45 pm

sivaphy
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hello, i'm a new simpson user, and i was playing with the optimal control features. i was trying to create a simple coherence transfer from Ix1 to Ix2 on a 3...
3 Jun 9, 2009
5:40 pm

yosi
zaphod_bi
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Dear simpson users, From the testing version 2.0.1pre4 <http://www.bionmr.chem.au.dk/download/simpson/2.0.1preXX>, there is a new behavior for cluster...
1 Apr 23, 2009
12:07 pm

Julien TREBOSC
jtrebosc
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I'm hoping someone with more SIMPSON experience than me can help me with this problem. I'm trying to do a fit with minuit of a vanadium MAS spectrum, but I...
2 Mar 24, 2009
10:50 pm

Thomas Vosegaard
vosegaard
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Does simpson 2.0 for windows disable the cluster mode? I can't use cluster mode any more....
2 Mar 19, 2009
10:46 am

bw.hu
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Dear all, I want to simulate the line shape of a spin 1/2 nucleus directly bonded to one or two quadrupolar nuclei. Some years ago this was already discussed...
1 Mar 5, 2009
12:13 pm

Baldus, Johanna
J.Baldus@...
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Hi all I have made these two commands available. The commands take the shape file name and optionally the nominal rf field strength of the shaped pulse as...
1 Mar 4, 2009
7:46 pm

Thomas Vosegaard
vosegaard
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Hi folks, I am trying to simulate a static spectrum which combines the second-order quadrupolar coupling and chemical shift anisotropy. I set the angles for...
4 Feb 27, 2009
7:19 pm

mychemistry2001
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Hi all, I tried to simulate a D-F REDOR-type curve between a single deuteron and a single fluorine atom. To better refocus the quadrupolar interaction, I used...
1 Feb 26, 2009
5:01 pm

thebiggroves
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Dear SIMPSON users I am happy to announce the release of SIMPSON version 2.0. As you see this is a major release now introducing the optimal control...
1 Feb 1, 2009
9:43 pm

Thomas Vosegaard
vosegaard
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Hi everybody, Recently I want to use the 'mncontour'to plot the contour of csa and eta. But I always got the error message 'invalid parameters'. Any help will...
1 Dec 11, 2008
4:28 pm

y.wu08
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Hi everyone, I read Thomas Vosegaard's post in March about how to get SIMPSON running in parallel on UNIX computers and now I'm curious: how difficult would it...
1 Nov 4, 2008
9:19 am

pcxdab
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I want to simulate the 2nd order quadrupolar effect. I found out that when I only use 1st order quadrupolar interaction, the results keep more or less...
3 Oct 8, 2008
3:24 pm

vipin agarwal
vip011
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Hi, I was wondering as to what the two columns are in the .fid output file. I know that the first column is the real signal in the time domain and the last...
1 Sep 23, 2008
9:56 pm

Suvrajit
suvrajit82
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Hi guys, I'm a relatively new SIMPSON user. I've managed to figure quite a bit out on my own, with much struggling, but there is something I cannot seem to...
4 Sep 12, 2008
4:31 am

Thomas Vosegaard
vosegaard
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Dear all, I'm trying to simulate stmas experiments with simpson 1.1.2 (linux) but I run into synchronisation problems. I tracked the problem down to the use of...
1 Sep 10, 2008
1:31 pm

Julien TREBOSC
jtrebosc
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