I am trying to create an input file for an exponentially shaped MQMAS conversion pulses ( revised FAM pulse), but I am having difficulty doing that. I would...
I am a new user of Simpson, running OSX. I would like to make a 1d powder pattern spectra where eta >0. I have ran the "powder.in" file (shown below) that is ...
I thinks it's broken. If you do not get a powder.spe file, and you see a message like syntax error in " <15000 && >15000" like I do, the problem is that the...
Hi, I will be going to install Simpson onto a cluster with operation system as Linux/Unix and with AMD Dual Opteron processors of 64 bits. Could any expert...
I am having problems compiling simpson on my Fedora Core 4 system. It appears that there is a problem in the cfortran.h file. I have tried adding the...
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georgette.murdock8456...
Jan 10, 2006 3:13 pm
531
Hi, thanks for sharing your knowledge on this webboard. I'd like to simulate the spectrum of two 31P nuclei coupled to protons. channels 1H 31P nuclei 1H 31P...
Hi, ... In the case above you would specify detection of the two phosphorous' by detect_operator Inp-I1p or detect_operator I2p+I3p in the first example, Inp...
Hi, Thanks a lot for the quick response. ... I still get the error saying that two different nuclei have been detected ... This one works well. I also put of...
hope it's OK that I just continue to use this wonderful place here. I managed to set up a simulation for two 31P nuclei coupled to 1H. But it striked me that...
I am having problems obtaining a FID or spectrum in nmrpipe format. The simulation itself is not the issue, since the difficulty arises with the PISEMA...
The documentation for this option is very limited, so no wonder that some people have problems. For this to work you need to install NMRpipe since SIMPSON uses...
Dear Simpson-users, I'm having problems with simulating a frequency stepped QCPMG. I have a very broad spectrum (+/- 3MHz wide) and I excite with only 520kHz,...
Paul, the way I typically do this is to offset the RF and then detect back on resonance. I then follow this up offline by using a sky projection to combine all...
I found a solution to my problem. In the file main.c the following commented code can be found: /* if (Tcl_Init(interp) == TCL_ERROR) return TCL_ERROR; */ ...
Hi Andreas, The reason for commenting out these lines is portability. If the lines are in, the program will search for an appropriate file called init.tcl...
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brylee-stevens608@...
Feb 22, 2006 3:03 pm
548
I want static single crystal simulation program file to simulate NaCl single crystal spectrum if someone has please send me ... Jiyo cricket on Yahoo! India...
I wrote a small patch for the SIMPSON source file pulse.c, that adds the additional Tcl command prop_by_matrix to SIMPSON. It allows to propagate the density...
I'm a rookie on the Simmol and starting to learn it. In the spinsys section, where can I get the parameters listed in the 'shift and dipole' lines? Thanks...
I'd like to simulate the effect of different euler angle (beta(PR), the orientation between the PAS of quadrupolar tensor and rotor axis) on the intensity of a...
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brylee-stevens608@...
Mar 6, 2006 7:25 am
553
Hi there, some of you may use the ZCW Euler angle sets when computing three-angle powder averages in numerical computations. I've now received some angle sets...
Hi guys I am interested in powder averaging in SIMPSON. May I change those .cry files under ~simpson /simpson1.1.0_code/cryst to effectively change the powder...
Is there a means, asside from manually editing and rebuilding the code, to get SIMPSON to accept 3-angle sets? Most of the pulse sequences I simulate requrie...
The answer is yes you can... I would not recommend editing the files that come with simpson as they are built into the code. They are also a standard file that...
In simpson the third angle (gamma) is handled separately for several reasons. In static spectra the third angle is not needed since it corresponds to a...
... to ... I hope that Tomas will put me wrong, but as far as I know SIMPSON is not set up to read in sets of 3 Euler angles. If that's true, it's an...
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