Re: delta-G calculation

From: Yi Wang, PhD (dexterwy_at_gmail.com)
Date: Thu Sep 19 2013 - 03:08:28 CDT

Dear Behnam,

Please search for "Free energy perturbation" and "Thermodynamic Integration" at the NAMD website and NAMD mail-list archive.
___________________________

Yi (Yves) Wang, PhD
Chinese Academy of Science

2013-9-194:02 rasti_at_ut.ac.ir д

> Dear NAMD Users,
>
> I am wondering if there is any way to calculate delta-G of binding for a
> DNA-drug docked complex.
>
> Thanks,
> Behnam
>
>
>
>

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