[gmx-users] How to choose bd_fric value in brownian dynamics

Dr. Vitaly Chaban vvchaban at gmail.com
Wed May 29 13:16:14 CEST 2013

According to my understanding, setting friction coefficient is quite a
personal thing. The higher is bd-fric, the smaller are velocities.

Why not to set bd-fric = 0 in order to start with? See manual for details
of how this trick works.

Dr. Vitaly Chaban

On Wed, May 29, 2013 at 11:48 AM, Mohan maruthi sena <maruthi.sena at gmail.com
> wrote:

> Hi all,
>          I want to perform brownian dynamics simulations  using gromacs
> 4.5.5 for  a system containing  protein in water. What is the basis to
> select the bd_fric value for this system.  I came to know through previous
> posts that a value of 3000 would be fine for a time step less than 4fs. My
> question is on what basis we choose the value for bd_fric ? How does high
> bd_fric value impact  a simulation when compared to slow bd_fric value ?
> Thanks for  a reply in advance,
> Mohan
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