[gmx-users] Switching Group to Verlet
Mahmood Naderan
mahmood.nt at gmail.com
Fri Oct 21 14:49:05 CEST 2016
OK. I verified that the cutoff parameter inside the trp file is Group
mahmood at cluster:gromacs-5.1$ ./bin/gmx_mpi dump -s ~/LPN/topol.tpr | grep
cutoff
...
Note: file tpx version 83, software tpx version 103
cutoff-scheme = Group
Now, according to this reply (by you Mark)
https://www.mail-archive.com/gmx-users@gromacs.org/msg63038.html, it
*should be* possible to overwrite the cutoff parameter of the binary file
as I run the mdrun_mpi (similar to nsteps).
Could you please tell me, what is the correct option for that? I didn't
find any relevant option for mdrun_mpi.
Regards,
Mahmood
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