[gmx-users] How to choose bd_fric value in brownian dynamics
Mohan maruthi sena
maruthi.sena at gmail.com
Wed May 29 11:48:38 CEST 2013
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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