I still have problem with my input,because when I make postscript by using comand line: fplot2d $f $par(name).ps -ps I see in postscript one, bold,red line...
Hello Jarekgajda I cut and pasted your script into a file, and ran it straight off. I had one tiny problem at first, because "NP" was "14" but needs to be a ...
Hello, I'm a new user of the SIMPSON Programm and I'm wondering, if it's possible to simulate a normal Spin Diffusion between two 1H. So, if anybody knows the...
Update: I installed cygwin on my computer, replaced the cygwin1.dll that came with simpson with the one that cygwin installed and simpson works. So the...
I'm glad you got simpson working. I experienced a problem with simplot when opening a file using simplot's filebrowser. If I specified the filename on the ...
Hi, I am a new user to Simpson, and this software is very useful for my works. I have small problem in using the external crystlite_file, i downloaded...
You need to specify the external crystal file with a path in the simpson input file. Example: par { ... crystal_file alpha0beta0 } will take the internal...
Hi, I am trying to simulate solution-state experiments using pulsed field gradients. I am not having a great deal of luck at present. I can only think of two...
The following file works when clustering is off, but as soon as I turn clustering on, I get the following error after connecting to all the computers: error:...
Hi, I am trying to simulate the Rotor synchronized Hahn echo (90-t-180-t-acq). I modifed the example program (QCPMG) of Simpson and i tried to run for...
Hi, I would like to run the (tutorial ??) simpson example csa-fit. Steps 1 ...3 were ok, but starting step 4 "simpson phase.in" I see the error message " fbc:...
From further testing, it appears that you cannot depend on default parameters when clustering is on. My DRAWS procedure has a default phase (ph) of 0. If I...
Hello. I have been trying to compile simpson on a mac G5 dual processor machine running os 10.3.8/Darwin 7.8. I very nearly get it to compile but encounter...
It is apparently a problem in the configure script. Try to remove the line containing #define HAVE_F_EXIT 1 in the config.h file in the root directory of the...
Unfortunately I do not find that line, instead: /* #undef HAVE_F_EXIT */ I notice that the autoconf is set to 1.4 instead of the current 1.6. I have been...
If I remove all references to minuit in configure.in, then run aclocal and autogen.sh I get the following error: ld: warning multiple definitions of symbol...
Hello all, What is the best/easiest way to be able to use experimental data from Bruker spectrometers with the SIMPSON/SIMPLOT programs? For example, from...
Hello Dave, DMfit and editNMR programs (http://crmht-europe.cnrs-orleans.fr/dmfit) are capable of reading Bruker data (Xwin and WINNMR) and writing out to...
Hi, I try to put out some parameters for each crystallite orientation. It seems when running on a cluster it is neither possible to output information nor...
Thanks Pedro. Just to follow up on this in case anyone else is trying to use Bruker data, my version of dmfit (dmfit2004test) will output an ascii file, but ...
While trying to simulate some CSA powder patterns I tested several approaches. I found the example program csaf.in on the SIMPSON webpage, but I couldn't get...
Is there a way to pass more than the input file name to simpson? I would like to pass parameters to the main procedure. The idea is that I have a pulse...
Hi all, I'm getting a new computer here and was wondering which OS SIMPSON works best in--linux or Mac OS X. I have read about the malloc problems in OS X. Did...
SIMP NP=16 Hi every one, I just started using simpson recently and attached one of the fid files here. Could any one tell me what the two columns of DATA mean?...
Exactly. Real and Imaginary parts. Thomas *********************************************** Thomas Vosegaard, Assoc. Prof., Ph.D. Department of Chemistry ...
I recycled D2O by rotoevaporation and have ~ 80 % D2O. Do you think that it is ready to be used or is there another step ? Thank you by advance for your...
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