[gmx-users] potential of mean force of pore formation in the lipid bilayer by using potential of mean constraint force (PMCF) method.

[Mayank Dixit]

Dear All,
                I want to calculate the potential of mean force of pore
formation in the lipid bilayer by using potential of mean constraint force
(PMCF) method. Can anybody suggest me how to use pull method to compute the
pmf of pore formation.

How to define the reaction coordinate of pore in the gromacs in the pull
method?

Please response me as soon as possible.

Thanks and Kind regards

-- 


*Mayank  Dixit *
Research Scholar
Department of Chemistry
The city college of New York
Marshak Science Building
160 convent avenue 138th street.
New York, NY-10031
Cell no: 13474767359