Hello Gromacs users, I have a confusion about generating tpr file from .gro. I have not used -t option while generating .tpr file. Please note that in this case, I first did a simulation in NVT ensemble followed by NPT ensemble. In case of NPT run, I am using gen_vel option as no in the mdp file and the last gro file that I used for generating tpr for the next run (NVT) had both position and velocities. However, the output of grompp option showed a seed value but I am not sure whether it was same as that of the NVT run. So my concern is whether it considered the velocities from the .gro file or it generated a new set of velocities. If it generated the new set of velocities, can anyone tell me what was the job of -c option corresponding to .gro file that contained both position and velocities or -c option works for only position? Any help would be appreciated.
Thanks in advance! Prabir -- *Prabir Khatua* *Postdoctoral Research Associate* *Department of Chemistry & Biochemistry* *University of Oklahoma* *Norman, Oklahoma 73019* *U. S. A.* -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
