[gmx-users] changing the velocity in trajectory file
qiaobf at gmail.com
Mon Nov 29 15:02:20 CET 2010
Why don't use different random (gen_vel =yes; gen_seed =-1 in .mdp
file) seed to generate the velocity?
On 11/29/2010 02:55 PM, sreelakshmi ramesh wrote:
> Dear all,
> could anybody help me out with the following issue. I have a
> trajectory file.i have to used that file at a particular frame as the
> input to continue the simulation and i need to use that file for 20
> independent simulations.since the starting file for the 20 simulations are
> the same coordinate and velocity the 20 simulations are producing the same
> output trajectory.so is there a way to change the velocity by a small
> value in the input trajectory file so that every time i can get a diff
> trajectory from same input file.
More information about the gromacs.org_gmx-users