[gmx-users] md.mdp query

Höfling Martin martin.hoefling at gmx.de
Tue Apr 7 14:18:12 CEST 2009

Am 07.04.2009 um 13:46 schrieb akalabya bissoyi:

> hello gromacs,
> i want to know the changes to be done in md.mdp files for 10 ns.
> i am trying to run it but it's showing the following message.

... the following message is the output of an energy minimization and  
not a MD run. I suggest to do some reading and/or tutorials to get in  
touch with MD procedures in general. Parameters in mdp file are also  
described in the gromacs manual.

Best wishes

More information about the gromacs.org_gmx-users mailing list