[gmx-users] Problem with restart simulation
Daniele Veclani
danieleveclani at gmail.com
Wed Aug 3 15:57:18 CEST 2016
Dear groamcs users
I want to restart my MD simualtion.
I have used this command:
mdrun -s myname.trp -cpi myname.cpi -append
but I know that are generated new file like:
md.log
state.cpt
traj.trr
ecc..
There is a keyword that rewrites the files, without that new files are
generated?
or
Can I merge the files (example: myname.edr ener.edr or myname.trr traj.trr)
once the simulation is over?
Best regards
D.V.
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