From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 22 Sep 2015 21:32:39 -0400
On Tue, Sep 22, 2015 at 8:26 PM, Sofia Vasilakaki <svasilak.chem.uoa.gr>
wrote:
> Hi to everyone,
>
> 1. Is there any example of a 'simple' python script to compute energies
> ect using OpenMM? What is the executable ? parmed.py ? There is no example
> in the manual. Any papers?
>
>
> 2. Is the energy results of OpenMM comparable with MMPB(GB)SA? Can I use
> them in order to double check MMGBSA results?
>
>
OpenMM is not in Amber at all. And it's different package, probably you
should ask OpenMM developers.
