Re: [gmx-users] restarting the crashed run

Hi, The default name for that file is confout.gro, which it will be unless you chose a different name with gmx mdrun -c nvt.gro or gmx mdrun -deffnm nvt However, you can sometimes get slightly better results by using gmx grompp -c whatever -p topol -t nvt.cpt -f npt -o npt because now the

[gmx-users] restarting the crashed run

I had restarted my crash run for NVT equilibration using* gmx mdrun -s nvt.tpr -cpi nvt.cpt -v *, the simulation restarted and finished fine, but at the end of the simulation I did not get my nvt.gro, which I needed to do further NPT equilibration. Where is nvt.gro ? Did I do something wrong, or

Re: [gmx-users] Restarting a crashed run

hi ..i am having same problem as you did..can you please suggest how you solved it ??? - thanks in advance :) -- View this message in context: http://gromacs.5086.x6.nabble.com/Re-Restarting-a-crashed-run-tp4456957p5013569.html Sent from the GROMACS Users Forum mailing list archive at

Re: [gmx-users] Restarting a crashed run

If you have done the same mistake what I did, then you should get two files with names traj.xtc and traj.trr. These files contains the results for the restarted simulation. You can use trjconv to concatenate the new (traj.xtc)+ previous(old.xtc) files. I hope this should work for you... On Mon,