Re: [gmx-users] restarting stopped mdrun

2011-07-11 Thread lina
extend "!=" restart In your situation, no need tpbconv, Just mdrun -deffnm md -cpi md.cpt -append On Mon, Jul 11, 2011 at 4:35 PM, Mohana lakshmi wrote: > > > - Forwarded Message > From: Mohana lakshmi > To: gmx-users-requ...@gromacs.org > Sent: Mon, 11 July, 2011 1:53:04 PM > Subj

Re: [gmx-users] restarting stopped mdrun

2011-07-11 Thread Mark Abraham
On 11/07/2011 6:35 PM, Mohana lakshmi wrote: - Forwarded Message *From:* Mohana lakshmi *To:* gmx-users-requ...@gromacs.org *Sent:* Mon, 11 July, 2011 1:53:04 PM *Subject:* restarting stopped mdrun Dear all, I kept mdrun run for 3ns but the job stopped when it reached 1263999 steps

[gmx-users] restarting stopped mdrun

2011-07-11 Thread Mohana lakshmi
- Forwarded Message From: Mohana lakshmi To: gmx-users-requ...@gromacs.org Sent: Mon, 11 July, 2011 1:53:04 PM Subject: restarting stopped mdrun Dear all, I kept mdrun run for 3ns but the job stopped when it reached 1263999 steps due to system shut down. I used tpbconv command (tp