[gmx-users] Brownian Dynamics

Giacomo De Mori demori at icrm.cnr.it
Fri Jan 31 15:02:45 CET 2003


Hi  All

I've never used brownian dynamics tools in gromacs and i would like to
have some information and tricks about the best values for the parameters

of .mdp file (bd_fric and so on) to run a brownian dynamic at 300K for a
36 residue peptide.
Does anyone have a .mdp file or hints about the best way to run the
simulation?
Thanks in advance

Giacomo








More information about the gromacs.org_gmx-users mailing list