[gmx-users] mdrun -c option "did not work"

Jérôme Baffreau jerome.baffreau at umontreal.ca
Tue Jun 23 23:06:03 CEST 2009

Hello everyone,

this is my very first post on GROMACS mailing list, so please apologize if my question seems very simple.

Here is my problem... I ran a calculation using GROMACS 4.0.3 and this command line:

mpirun -np 32 mdrun -s prot_md.tpr -c prot_md.gro -g md.log -e md.edr -o prot_md.trr -deffnm md -nov

I think everything went well, but the prot_md.gro (final structure) file has NOT been generated so I'm wondering if there's a way to generate it from tpr, trr ou xct output files?

Thanks a lot,

Jerome B.

Jerome Baffreau, PhD
Stagiaire postdoctoral - Postdoctoral fellow
Departement de Biochimie - Biochemistry Department
Universite de Montreal
Montreal, QC
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