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simpson-simmol · The SIMPSON - SIMMOL Discussion Forum

Group Information

  • Members: 310
  • Category: Chemistry
  • Founded: Dec 10, 2001
  • Language: English
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Description

SIMPSON and SIMMOL are software packages for simulation of multi-spin and multi-dimensional NMR experiments and for specification and visualization of anisotropic spin interactions in biomolecular NMR.

This SIMPSON - SIMMOL Discussion Forum is the place where users can exchange ideas, ask questions, and where information on new releases of SIMPSON and SIMMOL will be provided.

(I have changed the membership policy from open to restricted such that new members should be approved before posting emails. This is to prevent the increasing amount of spam mails that have been posted in the group recently.

To become a member you just have to sign in and explain very briefly your interest in NMR and SIMPSON/SIMMOL... I hope this will prevent new spam members from signing in.)

Most Recent Messages

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Optimal Control: Variation of frequency offsets
Hello, are there plans to add the ability to optimize frequency offsets for each element in shaped pulses. Thank you, Evgeny
Posted - Tue Nov 3, 2009 9:38 pm
evgeny.markhasin
evgeny.markh...
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Two simulation questions
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,
Posted - Sat Oct 17, 2009 10:34 pm
thebiggroves
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Minuit
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
Posted - Tue Sep 22, 2009 4:27 pm
sivaphy
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Extracting the full density matrix
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
Posted - Tue Sep 15, 2009 2:24 pm
lukenmr
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JMR Example #6
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
Posted - Fri Sep 11, 2009 7:47 am
miltont98
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Message History

Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec
2009 6 11 1 10 1 24 6 1 1
2008 2 6 4 3 1 4 6 4 1 1
2007 15 40 38 34 12 1 2 2 13 9
2006 12 8 13 5 1 4 19 12 16 4 4
2005 17 11 13 2 1 6 23 14 28 6 3 2
2004 7 1 9 14 1 16 22 12 5 12 11 7
2003 15 12 13 1 8 14 4 6 8 1
2002 35 12 23 13 14 22 4 14 26 7 20 5
2001 9
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