[gmx-users] big protein dynamics

[Adriana Pietropaolo]

Hi,
thank you for your help, it's very kind from you help people who use 
GROMACS!
Now, I start the run, and I have a doubt.
To rerun the simulation, I use the option rerun with the binary 
trajectory.
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?
Thanks!
Adriana

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Adriana Pietropaolo,
PhD student,
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
Tel 051/6446992
FAX 051/2093690 
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