[gmx-users] rerun from random seeds
MD
refmac5 at gmail.com
Thu Jul 5 17:15:33 CEST 2018
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,
Ming
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