[EMAIL PROTECTED] wrote:
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
If your simulation crashes without saving to the trr you'll have to
restart from your last tpr again.
It would be more systematic to save velocities every once in a while,
depending on how much time you can afford to lose.
--
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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