[gmx-users] changing the velocity in trajectory file
sree.lakshmi at research.iiit.ac.in
Mon Nov 29 15:32:55 CET 2010
i am reading the velocities from trajectory file.so i dont want the
maxwellain distribution of veloc thats y i have set gen_vel=no.
On Mon, Nov 29, 2010 at 7:32 PM, Baofu Qiao <qiaobf at gmail.com> wrote:
> 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
> > 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
> > the same coordinate and velocity the 20 simulations are producing the
> > 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.
> > reagrds,
> > sree.
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