[gmx-users] Langevin Dyanamics in GROMACS

[Justin A. Lemkul]

M Hafizur Rahman wrote:
> Hi all:
> Anyone can help me using Langevin Dynamics in GROMACS. Where does the 
> friction coefficient goes and How we can change the forece field to 
> include PMF.
>  

For Langevin dynamics, read manual sections 3.8 or 3.9, depending on what you 
want to do.  Associated run control parameters are in section 7.3.3, or online:

http://www.gromacs.org/documentation/reference_4.0/online/mdp_opt.html

As for PMF, read manual sections 6.1, 6.3, and/or 6.4.

-Justin

> Thanks,
> M. Rahman
>  
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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