[gmx-users] Restarting a crashed MD run

[bmmothan at ucalgary.ca]

sorry to ask again, I hope this is my last question about this.

since I know now that the restarted run I did started from 0 time. I
killed the job and it wrote velocity for the last frame. So since i knew i
have to contiune this run that I just killed, I used tpbconj and it wrote
a new tpr file and it said it will restart it from the time I killed the
job ( half the simulation). SO i think I am set now to continue the
simulation this way.

Thank u






> bmmothan at ucalgary.ca wrote:
>> Hi,
>>
>> I ran gmxcheck and 0 frames have velocities.
>>
>> so it means it started from beginning?
>>
>> Belquis
>>
>>
> yes.
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before
> posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>
>