Hallo , SIMPSON's users I have some problem with commands, may be somebody can help Whether I do not understand SIMPSON's syntax or there is a bug in the ...
Hello, I'am trying to do a simulation that uses the command "matrix matrix get from" with from the Hamiltonian. This is the syntax I used : set detect 1 matrix...
Jay gave a very precise explanation for the philosophy behind gamma-compute and similar methods. Let me supply a few comments of more practical character. 1....
Below are some examples from my own input files on how to use the matrix commands - they may help explaining the "matrix set" and "matrix get" commands. matrix...
I have two questions on the funtions of Simpson. 1.Is it possible to use a shaped pulse in Simpson by changing power amplitude of pulse? 2.Is it impossible to...
Hi, Simpson does not include relaxation. You may easily use shaped pulses, for example by typing for {set i -$n} {$i <= $n} {incr i} { pulse $dt [expr...
Dear simpson/simmol users, We have just published a paper showing several new applications of simpson and simmol which may be of interest for you. Some...
It seems the link takes us to an abstract but some us without library access to that journal cannot get the pdf of the paper. Will this be placed on your...
Dear Thomas ... and ... but this syntax does not work , ... I always get message: ======= error: in evaluation of pulse sequence: Usage: matrix: arguments must...
the correct format for using matrix set ... list is illustrated by the line below which is valid for a spin-1/2 nucleus. matrix set detect list {{{1 -1} {0 0}}...
Dear Thomas There is a problem with density matrix getting. Command [matrix get density ] gives not a value averaged over all spatial orientations (which are...
Hi all I wonder if anyone can assist with the folowing problem: I'm trying to relax the density matrix in the middle of a simulation. I can happily store the...
Dear Jay and Thomas, Thank you for the information on Gamma Angles. It was very useful in understanding how Simpson speeds up the calculation. Because the...
Hi, all, I am trying to simulate the TPPM decouple for static sample, just changed a little of the IN file from the JMR paper, but it dosen't work, I can not...
Hi conggangli, you don't sample only one point but in your pulseq the loop goes from 1 to par(cycle) which amounts to 10 points. So if you want to have signal...
I want to write a program to simulate a MQMAS experiment by SIMPSON,By using "direct method", it seem to spend too much time by PC.Who can tell me whether...
gcompute may only be used to evaluate a pulse sequence which is periodic with the rotor period. Thus, for calculation of a mqmas experiment it is not ...
Did anybody try to install SIMPSON on Mac OS X? It *should* work as any Linux / Unix system provided it has the correct libraries but I would prefer to know...
Hi everybody, now that I'm a "member" I'm going to use this privilege! I was wondering where you guys were getting your CSA parameters from, for "common"...
Hi Dror, ... The 13C CSA of the twenty amino acids can be found at C. Ye and coworkers, Magn. Reson. Chem. 31, 699-704 (1993) ... The carbonyl CSA is kind of...
I have not built it recently, but I have been running it on my OS X box since 10.1.3. There are now newer gtk libs and tcl/tk than I used to build it out...
For simulating a FASTER MQMAS experiment,I wrote a program by SIMPSON,but I couldn't get a correct spectrum I want,who can help me and tell me the reason? #...
Dror, Andy, et al., Some time ago Andy shared his 10.1.3 build with me and I used it without problems, although as I recall Simmol was not functional. Then I...
Hi again, I am making some progress but still not quite there. Here is the summary of what we have done and results: 1. Running Mac OS X 10.2.4 (build 6I32)...
Hi Chad, I agree with you in that the problem seems to be that there somewhere in the Mac OS X headers is defined a structure _complx like we do in simpson. ...
Hi all, I had come to a similar conclusion and renamed it as well. However, the next thing that fails is malloc.h. I'm still looking at the differences here vs...
I know this is rather primitive, but presently the simpson code is not parallel. The only way to take advantage of the two CPU's is to run in cluster mode and...
Hi, I've been working on some QCPMG simulations. The simulation always has a spiklet at 0, which doesn't usually exist in my experimental spectrum, and...
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