http://tech.groups.yahoo.com/group/simpson-simmol/ The SIMPSON - SIMMOL Discussion Forum Fri, 20 Nov 2009 06:53:04 GMT mithun_ron http://tech.groups.yahoo.com/group/simpson-simmol/message/888 http://tech.groups.yahoo.com/group/simpson-simmol/message/888 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? Fri, 20 Nov 2009 06:39:30 GMT mithun_ron http://tech.groups.yahoo.com/group/simpson-simmol/message/887 http://tech.groups.yahoo.com/group/simpson-simmol/message/887 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 Tue, 03 Nov 2009 21:38:34 GMT evgeny.markhasin http://tech.groups.yahoo.com/group/simpson-simmol/message/886 http://tech.groups.yahoo.com/group/simpson-simmol/message/886 Hello, are there plans to add the ability to optimize frequency offsets for each element in shaped pulses. Thank you, Evgeny Sat, 17 Oct 2009 22:34:16 GMT thebiggroves http://tech.groups.yahoo.com/group/simpson-simmol/message/885 http://tech.groups.yahoo.com/group/simpson-simmol/message/885 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, Tue, 22 Sep 2009 16:27:38 GMT sivaphy http://tech.groups.yahoo.com/group/simpson-simmol/message/884 http://tech.groups.yahoo.com/group/simpson-simmol/message/884 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 Tue, 15 Sep 2009 14:24:06 GMT lukenmr http://tech.groups.yahoo.com/group/simpson-simmol/message/883 http://tech.groups.yahoo.com/group/simpson-simmol/message/883 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 Fri, 11 Sep 2009 07:47:22 GMT miltont98 http://tech.groups.yahoo.com/group/simpson-simmol/message/882 http://tech.groups.yahoo.com/group/simpson-simmol/message/882 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 Thu, 03 Sep 2009 09:54:30 GMT Zdenek Tosner http://tech.groups.yahoo.com/group/simpson-simmol/message/881 http://tech.groups.yahoo.com/group/simpson-simmol/message/881 Dear Luke, my first idea how to solve your question is to use "oc_var_save_proc" feature. In fact, your code can not work for two reasons. First, oc_optimize Wed, 02 Sep 2009 18:53:48 GMT lukenmr http://tech.groups.yahoo.com/group/simpson-simmol/message/880 http://tech.groups.yahoo.com/group/simpson-simmol/message/880 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 Tue, 01 Sep 2009 12:36:10 GMT Julien TREBOSC http://tech.groups.yahoo.com/group/simpson-simmol/message/879 http://tech.groups.yahoo.com/group/simpson-simmol/message/879 ... spectra with two 1H located at -5p and 3p. But ... difference between the two proton. It's a display problem. simplot uses sw parameter to define spectral Thu, 20 Aug 2009 11:17:59 GMT Jakob J. Lopez http://tech.groups.yahoo.com/group/simpson-simmol/message/878 http://tech.groups.yahoo.com/group/simpson-simmol/message/878 Hello, Oriented spectra, using appropriate crystal files which take into account a certain error in orientation (mosaic spread) are simulated in the refercne I Thu, 20 Aug 2009 11:10:02 GMT Tyler Reddy http://tech.groups.yahoo.com/group/simpson-simmol/message/877 http://tech.groups.yahoo.com/group/simpson-simmol/message/877 I don't think you'd normally want to use a crystal_file like that one for the PISEMA in an oriented bilayer type of experiment. In the 2D PISEMA Thu, 20 Aug 2009 02:51:09 GMT John Gehman http://tech.groups.yahoo.com/group/simpson-simmol/message/876 http://tech.groups.yahoo.com/group/simpson-simmol/message/876 Hi Milton, Maybe I've just stepped in it, as I haven't had occasion yet to really think through these simulations. The question was an honest one -- without Thu, 20 Aug 2009 02:40:31 GMT John Gehman http://tech.groups.yahoo.com/group/simpson-simmol/message/875 http://tech.groups.yahoo.com/group/simpson-simmol/message/875 Interesting! I had run it on my work computer, SuSE 10.something (I think 10.2). I've just spent all morning on it on my home rig, running a fully updated Wed, 19 Aug 2009 16:46:45 GMT tyler.reddy http://tech.groups.yahoo.com/group/simpson-simmol/message/874 http://tech.groups.yahoo.com/group/simpson-simmol/message/874 Hi John, I've managed to get PISEMA simulations to work now. However, I end up having to do SIMMOL/SIMPSON simulations on ubuntu and then using Mac OS 10.4