[gmx-users] Switching Group to Verlet

Mahmood Naderan mahmood.nt at gmail.com
Fri Oct 21 12:36:32 CEST 2016


Excuse me... this is a better output that shows the inconsistency

mahmood at cluster:LPN$ grep -r cutoff .
./grompp.mdp:cutoff-scheme       = Verlet
./rest.mdp:cutoff-scheme       = Verlet
./md100.mdp:cutoff-scheme       = Verlet
./md.log:   cutoff-scheme                  = Group
./mdout.mdp:cutoff-scheme            = Verlet


Where is the code, the scheme has been changed to Group?

Regards,
Mahmood


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