[gmx-users] running a crashed run

Hi, I was running a simulation for 3ns and the system got turned off some how and I restarted that crashed run ... will continue from the step at which it got crashed or will it start from begining again ?? -- Bharat Ph.D. Candidate Room No. : 7202A, 2nd Floor Biomolecular Engineering Laborator

[gmx-users] Running a crashed run

Hi, I am running a crashed run (orgininally for a 3ns simulation) but at the time of rerunning I forgot to assign -v tag in the command and now I an not able to know at which step the simulation is going on .. For that I check the state.cpt file , actually there are two .cpt files one with state.c

Re: [gmx-users] running a crashed run

On 01/20/11, bharat gupta wrote: > > Hi, >   >   > I was running a simulation for 3ns and the system got turned off some how and > I restarted that crashed run ... will continue from the step at which it got > crashed or will it start from begining again ?? > > This is what the checkpoint

Re: [gmx-users] running a crashed run

I have read that document .. but still I do have confusion .. mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log -cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want to whether it will start from 2ns or from beginning... -- Bharat Ph.D. Candidate R

Re: [gmx-users] running a crashed run

On 01/20/11, bharat gupta wrote: > I have read that document .. but still I do have confusion .. > >   > > mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log > -cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want > to whether it will start fro

Re: [gmx-users] Running a crashed run

bharat gupta wrote: Hi, I am running a crashed run (orgininally for a 3ns simulation) but at the time of rerunning I forgot to assign -v tag in the command and now I an not able to know at which step the simulation is going on .. For that I check the state.cpt file , actually there are two