[gmx-users] big protein dynamics
adriana at ms.fci.unibo.it
Tue Dec 6 11:02:20 CET 2005
thank you for your help, it's very kind from you help people who use
Now, I start the run, and I have a doubt.
To rerun the simulation, I use the option rerun with the binary
Is it sufficient or it needs also a restart tpr file, for example if I
want to change the simulation time, I reprocessed the mdp file with
grompp, but the topology and the .gro file must be the last configuration
of my run, or I may use any .gro and .top configuration of my sample
because mdrun reads the .trr file?
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
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