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 Canada
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