[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


More information about the gromacs.org_gmx-users mailing list