[gmx-users] rerun from random seeds
pall.szilard at gmail.com
Thu Jul 12 16:41:46 CEST 2018
Yes, this will generate velocities with a random seed.
On Thu, Jul 5, 2018 at 5:15 PM MD <refmac5 at gmail.com> wrote:
> Hi Gromacs folks,
> I am trying to re-run a 100 ns simulation with different velocities and
> random seed. Would the setup from the mdp file as the following a good one?
> ; Velocity generation
> gen_vel = yes ; assign velocities from Maxwell distribution
> gen_temp = 300 ; temperature for Maxwell distribution
> gen_seed = -1 ; generate a random seed
> Thanks in advance,
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