[gmx-users] grompp and restart velocities

acorrea at unisa.it acorrea at unisa.it
Wed Oct 20 12:48:05 CEST 2004

when I preform my sampling simulation, after equilibration, I use the option -t
traj.trr of grompp. I readed on the manual (Version 3.2 page 294)

"An energy file can be supplied with -e to have exact restarts when using
pressure and/or temperature coupling."

Please, I do not understend why  an energy file is request to have exact restarts.
I thinked that just the old velocities are request in a sampling simulations...
I'm confuse

Please, could somebody help me? Thank you very much 

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