[gmx-users] Continue run after a crush
itaibloch at gmail.com
Thu Jun 23 16:04:44 CEST 2005
I had a 30ns simulation on 4 nodes but it crushed after ~24ns.
I am now trying to continue the remaining time on different machine
(both are Linux).
I have followed the orders I found in the FAQ (in the gromacs site),
BUT I am having doubts regarding the constraints!
The only constraints I used were the "all-bonds" constraints in the
original run and now after the crush the procedure I followed was:
1. tpbconv_mpi -s before.tpr -f before.trr -n deshuf.ndx -o crush1 -time 24411
2. mdrun - s crush1 .......
Is it OK to do it like that or should I do it differently and regards
the constraints in a different way?
I will be very happy to hear your ideas/suggestions.
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