[gmx-users] rlistlong problem

Mostafa Javaheri javaheri.gromacs at gmail.com
Sun Jul 20 11:02:14 CEST 2014

Dear Justin

I set rlist = 1.2 and rlistlong = 1.4 in my md.mdp file and after running
the simulation both of these parameters switch to this value 1.224 in the
log file. I’m trying to simulate protein-ligand complex by utilizing CHARMM
force field and I’m using GROMACS version 5. I would be grateful if you
could tell me why does it happen? The mdp and log files are attached for
more details.



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