[gmx-users] Saving velocities

pojeda at icp.uni-stuttgart.de pojeda at icp.uni-stuttgart.de
Fri Aug 27 18:10:02 CEST 2010


Does anybody knows how to save the velocities of a group of particles
every N time steps without having to write the .trr file for the whole
system? I mean my system has two kinds of molecules say A and water what
I want is to save the velocities for the atoms in the molecule A
every certain number of steps. The .trr file seems to be very big.
Therefore I just want to write the velocities of the molecule A which
is small.

thanks in advance.

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