[gmx-users] restart md from the point it had stopped

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Oct 8 15:44:47 CEST 2007

Hi Sarbani,

Use tpbconv. You can only (properly) restart from a point where you have a
frame with velocities (in the .trr file) and preferrably energies (.edr).



On 8 Oct 2007 12:34:23 -0000, sarbani chattopadhyay <
sarbani_c84 at rediffmail.com> wrote:
> hi,
>   I have been running a molecular dynamics simulation for 2
> nanoseconds.But it stopped in
> the middle because of an internal problem.Is there any way to restart the
> simulation from
> the point it has stopped?
>         Thank all
>           Sarbani
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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