Hello, Everyone, I am trying to simulate the REDOR universal curve for IS2 spin system. I modified the sample input file (downloaded from SIMPSON website) by...
Hello, As soon as your spin-system becomes larger than two, one needs to add an angle along with your distances (effective dipolar couplings), which must be...
Hello, I'm new to Simpson and I'm trying to use the CSA multicomponent fit. I'm following the directions in the file csafit.in, however when I use the...
Hi Teresita, if you are just interested in extracting CSA information from a regular MAS or CPMAS spectrum, DMfit is the method of choice. Jerry ... -- Jerry...
Hi, Pedro, Thanks for your reply. I completely agree with your comment about the effect of the orientation on the final REDOR dephasing behaviour. So I should...
I recently installed SIMPSON 1.1.1. When I run a script, everything works fine except if I run line broadening (faddlb). If I have faddlb in my script, it...
Hi Wu Xiaodong, as far as I can remember my REDOR calculations with SIMPSON, you are right. The curve should be between 1 and 0 (apart from some overshoot). I ...
Hi Wu Xiaodong,
sorry, I forgot to attach the SIMPSON files. The paper was attached in the
email before.
Sven
Hi Wu Xiaodong,
as far as I can remember my...
Hi, Sven, Thank you for attaching your papers and the input file. It's a good reference paper for my current work. However what you attached SIMPSON input file...
Hi Wu Xiaodong, this time I checked more thoroughly, what I send to you. In the attached zip-file you find a series of SIMPSON-input files for the REDOR...
Hi, Sven, I really appreciate your materials and helps. I have checked your input files. The first number of S/S0 is the same as what I calculated. That is two...
Hi, What you are observing regarding the scaling upon increase of the spin system is a result of the fact that SIMPSON obtains the data points by taking the...
Welcome! I'm new user of SIMPSON. I have a problem with transfer my input file, which i try change from 1D to 2D. I tried change this input,but i can't...
I don't understand the problem. It seems you achieve a 2D spectrum. Be aware that simplot is only for 1D spectra and will interpret 2D spectra in a wrong way!...
I tried it on my own windows computer - without problems. Try to download the latest version for windows http://www.bionmr.chem.au.dk/download/simpson and take...
I downloaded and unzipped simpson-1.1.1pre32-windows-binary.tar.gz, opened a command prompt and tried running simpson. I got the following error: The procedure...
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...
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