[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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