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...
I am trying to simulate the 27Al static QCPMG spectrum of Andalusite. Andalusite has 2 Aluminum sites. Actually, I looked into the simpson examples and found...
Greetings, there is one problem right at the start of the pulse sequence section... 27Al is a spin 5/2 so the pulse widths must be divided by 3 (not 2) for...
I am learning on using simpson. Haveing some concern about the gcompute method. 1) what is the delay for, like in some example, delay 9999 or even delay 1e6;...
Hallo dear users I make simulations which require big number for powder averaging. The sets for alpha and beta are restricted by 4000 angles in Simpson and ...
Hallo dear simpson users Has somebody experience with base line correction? I have "fbc" in my input file and get this message: fbc: Not implemented yet. Must...
Hi, I am trying to install simpson and simmol on a Red Hat Linux machine. I am getting the error message, simpson: error while loading shared libraries:...
Hi Neeraj, You must have Tcl (version 8.4) installed on your computer in order to run simpson. From your error message it looks like you haven't got the...
Dear All Has somebody experience in errors intermpretation in output file after MINUIT minimization. How column "ERROR" in matrix of fitted values correlates...
Hallo All I do not understand how the "frms " command works I created 4 *.spe test files, each one is of constant amplitude, and each of them is repetition of...
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skye-ollmann780@...
Jul 7, 2006 12:46 pm
579
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Now I am performing a simpson simulation containing a Al atom, and I only need to cosider the central trnasition of Al. But I'm not detecting in the Al...
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