Hello, Among the list of parameters fed to the command "faddpeaks" there is, at the end, a number specifying the gauss to lorenz ratio. I was wondering whether...
This is the gauss/lorentz ratio (glr) and it should work the same way as the same parameter for faddlb. It must take values between 0 and 1 and divides the...
I have encounter similar problem and found that whenever timing of calculation is not exactly at the end of rotor cycle. Check your timing once again....
I am getting this error Exception: STATUS_ACCESS_VIOLATION at eip=00406617 eax=00000032 ebx=0A03E000 ecx=40296252 edx=3FE9CCA4 esi=00000080 edi=00000329 ...
Hey- Check out this great site that is giving away totally free Apple 40GB Photo Ipods! I've joined and I think you should as well. It's a completely...
Hi, I am a newcomer and I just download the Simpson simulation software. But I met some trouble during the installation. After I extract the tar file and open...
I've asked that before, and Pedro answered below: To end the never-ending looping of the test file, simply remove the folowing: while {1} { set f [fsimpson] ...
Dear simposon users, I´m trying to simulate chem. shift values (iso, csa, eta) of an simple 31P spectrum with two different 31P nuclei (P1 and P2). The...
Dear Antonie, In regards to the issue of populations this may be achieved via the detect_operator. Instead of using Inp (which is I1p +I2p + ... Inp, for n...
Dear Simpson users, I am having issues with the simulation of an INEPT experiment. My spectrum is never the expected 180 degree out of phase doublet with ...
Hi, I have been trying to install simpson on mac Os X. I have followed the instruction by Andrew Lipton. Things work fine untill the step where I have to...
Hello, I’m trying to simulate 207Pb spectra with large CSA (d(aniso)>100kHz). The result that I got so far from the SIMPSON simulations with a simple ...
M.A. Verhoeven
m.a.verhoeven@...
Dec 7, 2004 3:28 pm
400
Hi All, Due to popular demand, I thought I'd package up all the GTK+ libaries that are needed to get simplot running under X11 on Mac OS X. Intended user: you...
I would like to run SIMMOL on a prompt of DOS. Is that possible? I tried to set the path in the "bin" folder and then I typed "simmol" but nothing happend...
I have installed an entirely different version of SIMPSON. I have just one directory with a few executables (.exe). So I can only advise on this specific...
M.A. Verhoeven
m.a.verhoeven@...
Dec 15, 2004 8:02 am
403
Hello, I have recently installed the simpson software, and I am trying to use this software to make an RFDR buildup curve, meaning a simulation for the...
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...
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