Re: [gmx-users] About gromacs run...

Mark Abraham wrote: Henry Yang wrote: 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

Re: [gmx-users] About gromacs run...

Henry Yang wrote: 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

Re: [gmx-users] About gromacs run...

Hi Henry, Doing so will give you a loss of precision and you won't have continuity for the thermo/barostat. You would be better off using tpbconv -extend or tpbconv -until, with the .tpr, .edr, and .trr as input. That will also save editing files. Hope it helps, Tsjerk On Sat, Jan 2, 2010 at

[gmx-users] About gromacs run...

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 t