Re: [AMBER] How to generate different velocities for same structure during equilibration

From: Carlos Simmerling <>
Date: Mon, 11 Oct 2021 10:20:24 -0400

if tempi=0, there are no initial velocities assigned (0 Kelvon). if
tempi>0 and velocities are not read from the inpcrd, using a different
random seed will give you different initial velocities.

On Mon, Oct 11, 2021 at 7:20 AM Sadaf Rani <> wrote:

> Dear Amber
> I have performed a simulation and in order to know the consistency for
> fluctuations I want to run a duplicate of it.
> In the first simulation; I slowly equilibrated the system starting from
> temp0=0 and moving towards 300 in steps using random seed ig=-1
> and gamma_ln=1.
> Now for the second run should I use the same minimized structure and just
> change the random seed number value? How should I deal with temperature
> settings?
> Could anyone please give your expert opinion?
> Sadaf
> _______________________________________________
> AMBER mailing list
AMBER mailing list
Received on Mon Oct 11 2021 - 07:30:03 PDT
Custom Search