[gmx-users] How I extend command

[Rohit Farmer]

Hi Abid,

To extend a run I use something like this

For 50 ns

tpbconv -s previous.tpr -extend 50000 -o next.tpr
mdrun -s next.tpr -cpi previous.cpt

Rohit

On Tue, Feb 24, 2015 at 4:03 AM, Abid Channa <abid.channa at hotmail.com>
wrote:

> Hi gromacs users,
>
> I am working membrane complex simulation of 20
> ns, 100,0000 steps , my simulation is reached 40,00000 steps it stoped
> by mistakenly , How I can extend this 40 lac steps to 1 crore steps
> rather than starting , thanks in advance
>
> Abid Ali Channa,
> Junior Research Fellow,
> Lab No.  P-133, Computational Chemistry Unit,
> Dr .Panjwani Center for Molecular Medicine and Drug Research,
> International Center for Chemical and Biological Sciences,
> University of Karachi-75270.
> Karachi-Pakistan.
> UAN # (92-21) 111-222-292 Ext. (309)
> Cell # +923013553051
>
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>