Hello, sorry by a begginer question, but I'm going to linux nowadays and my fyrst target is use SIMPSON in this sistem. So, some one have SIMPSON on fedora...
Hello, Would like to know if it's possible to minimize parameters through Simpson/Minuit, using more than one spectrum. For example: If I have three spectrums...
Is possible load three spectrums (recorded with diffrenet spinning) for minimize 6 parameters using simpson/minuit at once time ??? Thanks all Fábio...
Hi Fabio Yes, it is definitely possible. You can make a minuit procedure with the following structure proc minuit {} { global mn par set rms 0.0 for {set i 1}...
Istalling Simpson in Linux.... after ./configure I receive Cannot find GTK: Is gtk-config in path? What i have to do? Sorry by this stupid question, but I...
you need to find the gtk+1.2 development packages -they are probably no longer supplied with fedora, so try looking at rpmfind.net. Otherwise, try to download ...
Thanks Thomas by the hints... Other question about Minuit. I have followed your script to to minimize perameters using two espectrums. Below is my code. I...
Fabio, I'm not sure why your loop isn't working, but I do see a problem you will have. When I use multiple lineshapes fit simultaneously (using simplex) I have...
If you want to change the spin rate in the minuit procedure you can easily do so, but you need to do it like proc minuit {} { ... set par(spin_rate) 500 set...
Thanks Thomas and Andy, the code below seems to work. I change to direct method. FAB spinsys { nuclei 1H channels 1H shift 1 5p 13p 0.25 0 0 0 } par { ...
Hi everyone, Is it possible to switch the angle between the rotor and the laboratory frame during an experiment? I tried to switch the angle value with the...
Hi If you download the latest version of the simpson source code (1.1.2pre30) http://bionmr.chem.au.dk/download/simpson/1.1.2preXX/ I have implemented a...
Hi Thomas, Thank you for your help. Do you have the compiled version of latest version of the simpson source code? I'm using MacOs X tiger and I'm unable to...
Dear all, I am running Gentoo linux on a dual core laptop and would like to use simpson in the server mode. However I can't get it to work and wonder whether...
Hello is it possible to simulate a 2 site exchange process with the latest version of SIMPSON? I know that the answer was NO some 2 years ago, but I wonder if...
Sorry, but the answer is still NO. Thomas *********************************************** Thomas Vosegaard, Assoc. Prof., Ph.D. Department of Chemistry ...
Hi I'm new to SIMPSON and being the first sequence that I wrote I'm not really sure if I do the correct thing, so I ask your advice. I want to test the effect...
Hello, If someone could answer, many thanks I wrote the code below (last post), to use simpson/minuit with two spectra recorded in different rotations, but I...
Hi I'm just testing the use of propagators in a Hahn echo sequence. The problem is that I obtain different results from propagators and the usual way of...
Hello Andy, What do you write after the lines that you wrote bellow? Could you post the complete sequence? I'm looking for the same parameters! Thanks Fábio ...
Fábio, first off I didn't use minuit, but the structure should be the same. All you need to feed minuit back is the RMS. What I typically do is call frms as...
Hi I tried to compile the latest version of Simpson (1.1.2pre30) on Mac OS X and Linux red hat but without success. After typing `./configure' I always have...
Hello I want to know if it is possible in SIMPSON to set a table for the value of one parameter and then to run a certain 1D pulse sequence for each value from...
see examples 2, 5 and 7 in SIMPSON paper, JMR 147, 296 (2000) use foreach par(name of parameter you like) the simple example, array of rotor cycles, will look...
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