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...
you can now officially call me Dr. :) Took me about 2 months, but after calling these guys 1-801-697-0461 they helped get me setup and get fully...
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...
Dear Thomas, I am wondering whether we have found a bug in Simpson. Attached please find an input file calculating the CP signal from 1H to 27Al. As an ...
NMR information is not easy to spread around. I have decided to make an NMR related news list, mostly to relay job or post-doc offers, conferences etc... This...
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Hi Jerry, I hope you don't mind me answering the question instead of Thomas. The problem is that you have chosen your maxdt too large. Your largest rf field...
Dear Sylvian, the phase of the receiver is the main problem you face when yau are using a "foreach" loop. In order to get rid of that I did this pulse...
Hello All, Has anyone been able to compile the simpson program on and Opteron system running Fedora. I can run the configure okay like this configure...
Dear all, I have a problem while using the command "acq". I don't understand why using this simple Hahn echo experiment the acquisition works only if the sw...
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