On Apr 29, 7:17 am, Gauri Sathe <[email protected]> wrote: > hyhiii... > m done with my energy minimization step in gromacs software on linux > platform....also the graphs for the potential and the temperature are > generated.....but i mam not getteing an nvt.gro file as an output and the > other file generated is confout.gro....what does this file contain....i > searched it on mail....but could not understand..... > please also let me know if there is any connection both the files > > please help me out..:( Hi,
'confout.gro' is the default name of the end configuration, if you want to have it saved under a different name use the '-c' option of mdrun. Reading the help of mdrun (mdrun -h) helps. Btw., this is the **VOTCA** mailing list and your problem is a pure gromacs problem. So, do what Victor advised you last time, post your question on the **gromacs** user list: http://lists.gromacs.org/mailman/listinfo/gmx-users Cheers, Christoph -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
