RE: [gmx-users] md.mdp query

. You can read this, and more, in details in the manual. Good luck Antonia Date: Tue, 7 Apr 2009 17:16:03 +0530 From: bissoyi.akala...@gmail.com To: gmx-users@gromacs.org Subject: [gmx-users] md.mdp query hello gromacs, i want to know the changes to be done in md.mdp files for 10 ns. i am trying to

Re: [gmx-users] md.mdp query

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

[gmx-users] md.mdp query

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. Steepest Descents: Tolerance (Fmax) = 1.0e+01 Number of steps= 1000 Step=0, Dmax= 1.0e-02 nm, Epot= -5.01412e+06 Fmax= 3.66197e