[gmx-users] output control
Maryam Kowsar
maryam.kowsar at gmail.com
Mon Oct 12 17:35:04 CEST 2015
Thanks Mark and Pierre.
I would rather try Mark's solution but I exactly dont understand what I
should do now! I used 2 sets of commands
tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt
OR
tpbcov -s -o new.tpr -extend 20
grompp -f new.mdp(NSTXOUT=1) -c old.tpr -o new.tpr
mdrun -s new.tpr -cpi
which will generate 200G data!
your help is needed!
Thanks.
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