[gmx-users] problems with Coordinates transforming

Cesar Lopez inmuno_cl at yahoo.com
Tue Nov 9 18:23:04 CET 2004


Hi:
 
I have some problems when I try to send a job to grommp, I can't understand but I can't generate the tpr file
First the software can't locate the cpp, I think because I am using a Windows interface, I suposse that clearing the line in the mdp file the problem could be resolving, but indeed there is other problem, the grommp can't find the coordinates betwen the top file and the structure file in the solvating box
I don't know where is the coordinate number in the top file, In the structure file there is a number but in the topology not.
Do you How I can resolve the problem?
Thank you very much
Cesar

			
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