[gmx-users] NMA problem

[Rashmi]

Dear All,

I am using MM/PBSA to calculate protein-ligand binding affinnity using
GROMACS. I got stuck at entropy calculation stage, which can be broadly done
by two mthods i.e. Normal Mode Analysis and Quasi-Harmonic method.

Can anyone let me know that how minimization using distance based dielectric
(r-dielectric) with a prefactor of  4 can be done for normal modes
calculation using GROMACS.

Thanks in advance for any valuable suggeations.

-- 
With Regards,

Rashmi Kumari
Research Scholar
School of Computational and Integrative Sciences
Jawaharlal Nehru University
New Delhi- 110067.
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