[gmx-users] restart REMD

Tomek Wlodarski tomek.wlodarski at gmail.com
Sun May 20 13:28:13 CEST 2012


I am running REMD simulation:

mdrun_mpi -v -deffnm -s topol_ -multi 72 -replex 1000

I am getting files with name like -s* (for example -s1.trr)

How now I could restart this simulation?
I know that for regular MD simulation only I need -cpi cpt_file_name
--append to add, but what with REMD simulation (I have cpt file: for
example  -s1_prev.cpt?)

Something like: -cpi "-s" ??
Thanks for suggestions!

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