Dear users,Happy new yera to all.
I have just a very simple query..I am running a simulation for 100 ns. I have
decided to run it by 10 ns step of each. In every run, the gromacs generated
confout.gro file, the traj.trr, traj.xtc, md.log , ener.edr file, state.cpt
etc. The next time when i run the simulation for the next 10 ns , I have edited
the em.mdp file and just change the tinit to the last time that i was run and
the nsteps to 5000000 for 10 ns. And the command i used for grompp is ...
grompp -f em.mdp -c confout.gro -p topol.top -o topol.tpr
And then it will generate the topol.tpr file. and the command is then
mdrun
My question is is that oaky ... or I have to use any more file in the grompp
command like that traj.trr or state.cpt for tracking velocity??
Thnx...
/HenryBiochemistry.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
