Thanks a lot Justin. On Wed, Aug 9, 2017 at 1:33 AM, Tushar Ranjan Moharana < tusharranjanmohar...@gmail.com> wrote:
> Hi All, > I want to calculate interaction between 2 energy groups, which were not > defined during the run. So I want to rerun and include both the energy > groups while rerunning. This can be easily done by again assembling .tpr > file from .gro, .top and .cpt file by grompp, but I donot have the .gro and > .cpt file, which I used to compile the original .tpr file. I have topology > file and run input (.tpr) file and the new trajectory obtained after > running .tpr file. > > Can I convert old .tpr to include energy groups or can I get .cpt and .gro > used to compile the .tpr file? > > I have run many simulation and by mistake the .gro and .cpt file got > overridden. Kindly suggest if there is any way to achieve the above > things. > > Thanks a lot. > > > > "A society with free knowledge is better than a society with free food" > -- > Tushar Ranjan Moharana > B. Tech, NIT Warangal > Ph D Student, CCMB > -- Tushar Ranjan Moharana B. Tech, NIT Warangal Ph D Student, CCMB -- 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.