Maybe I'm missing something obvious, but is there a list of default crystal files that come with SIMPSON? I can't find an explicit list in the documentation,...
Hi. I am a relatively new simpson user, and am interested in simulating solid state spectra with the strontium 87 nucleus. I've read the posts about nuclei...
Hello, Is this paper available for download on the Simpson website, for those who don't have a subscription to Chemical Monthly? Thanks Dave Bryce ... simpson...
Hi, could someone help me out with the following please: ...... set f [fsimpson] #fsave $f $par(name).fid faddlb $f 50 0 fzerofill $f 4096 fft $f ffindpeaks $f...
Hi Behnam, the <desc> is just '$f' which is a spectrum descriptor used internally by simpson as a pointer to a spectrum. If you are working on several spectra...
HI! I had a question regarding some isotropic three-site exchange simulations. Is SIMPSON able to do this? I saw in the archives that in 2002 it could not...
Hi, the current version of simpson is still not capable of handling dynamics such as site jumps. This would demand close to a complete restructuring of simpson...
Hello, Obviously I am new to using simpson and the related programs. i have simply put the executables for linux (i use SuSE linux, ver 8.2) into an accessible...
Hello, I have solved the problem myself. After uninstalling lots of 'gtk2' stuff, simplot now seems to run without problem I wrote too soon, sorry for the...
I would like to simulate 125Te spectra. However, I get the message: error: unable to find name '125Te' in internal isotope table I would think this should be...
Hi, how can I make a .ps- or .pdf-file from a x.spe or x.fid file after the simulation? Is it also possible to start simplot automatically after the ...
Hi, For the first part of your question, I'm working on a simpson to ps (xfig) converter. It is not really user-friendly yet but I'm working on that. You'll ...
On Suse Linux 8.2: I cannot run simplot because of some GTK problem. Also, when I try to ./cofigure simpson from the source distribution I get: *** The...
Hi Alexej, If you want to compile simplot yourself you must not only install gtk but also gtk-devel which contains the gtk-config and header files. Thomas...
Dear friends, I used the following program to study the CSA. but there is a problem in phase correction after doing DC correction also. could anyone please...
hello, perhaps you have said this somewhere already, if so my apologies. how do you upload an nmrpipe format file into simpson? i tried something in analogy to...
Hi, I am trying to simulate the 31P CP/MAS Spectrum of Hg(PBz3)2(NO3)2. The asymetric unit cell contains two molecules and the spinpattern should be 2ABX. I...
Hi, The following simulation designed to detect certain coherences during a C7 excitation curve simulation crashes after 24 of the 66 crystallites have been...
Hi, I have converted the experimental spectrum of my compound and would like simpson to variate the two J-Coupling values (see below) until the spectra are...
Hello Simpsonusers, I have problems simulating a spectrum of which I do not know the J- Coupling constants. Maybe someone can give me a hint. 31P CP/MAS ...
Yes, as it happens I have it on our anonymous ftp site right now. ftp.pnl.gov cd into /pub/outgoing/andy in there I have gzipped simmol and simpson for OS...
Hello All, I am trying to do some MAS simulations where spin-1/2 nuclei are coupled (both J and dipolar) to a quadrupolar nucleus that has a large Cq. The...
Hi, When I asked the authors about residual dipolar coupling between spin-1/2 nuclei and quadupolar nuclei under MAS conditions, I was informed that this was...
Hi Mat, Simpson does allow you to simulate a spin-1/2 coupled to a quadrupole via dipolar or J couplings. However, if Cq is so large that second-order ...
Hi, I try to simulate three spin operators like Iz(1)Iz(2)Iz(3). I write this operator in the readsys.c file (and I modify the spinsys.h and the spimspon.tcl...
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