Re: [gmx-users] rerun from random seeds

2018-07-12 Thread Szilárd Páll
Yes, this will generate velocities with a random seed. -- Szilárd On Thu, Jul 5, 2018 at 5:15 PM MD 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? > > ;

[gmx-users] rerun from random seeds

2018-07-05 Thread MD
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