[gmx-users] why .xtc not generated in 5.1.2?
Albert
mailmd2011 at gmail.com
Thu Mar 3 15:22:40 CET 2016
Hello:
I am using the following md.mdp file for MD production in Gromacs-5.1.2:
integrator = md
dt = 0.002
nsteps = 50000000
nstlog = 10000
nstxout = 0
nstvout = 0
nstfout = 0
nstcalcenergy = 1000
nstenergy = 1000
However, it doesn't generate either .xtc or .trr trajectory file. In my
Gromacs-5.0.7 it generate the .xtc trajectory...... I only need the .xtc
file and I don't want the .trr trajectory. I am just wondering how shall
we configure it in 5.1.2 correctly?
Thank you very much
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