[gmx-users] PMF

[Justin A. Lemkul]

leila karami wrote:
> Hi
>  
> How Potential of Mean Force (PMF) is calculated by gromacs? what command?
> 

Calculating the PMF is not a command, but rather a somewhat extensive simulation 
procedure that will depend upon the quantity you want to measure (binding energy 
of a ligand, PMF of rotating through a dihedral, etc).

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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