- Message from Dilip H N -
Date: Tue, 4 Apr 2017 10:18:23 +0530
From: Dilip H N
Reply-To: gmx-us...@gromacs.org
Subject: [gmx-users] Regarding getting trajectories in gromacs..
To: gromacs.org_gmx-users@maillist.sys.kth.se
Hello,
I have ran a md simulation for
Hello,
I have ran a md simulation for
nsteps = 500 ; 2 * 500 = 1 ps (10 ns)
dt = 0.002 ; 1e+07 fs
nstxout= 5000 ; save coordinates every 20.0 ps
nstvout= 5000 ; save velocities every 20.0 ps
nstenergy= 5000 ; save energies every 20.0 ps
nstlog= 5000 ; update log file eve
