AMBER Archive (2005)

Subject: Re: AMBER: solvation energy

From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Wed Sep 07 2005 - 11:19:47 CDT


Hi,

Yes, MM_PBSA can break free energy to each residue.

Wei Chen

Quoting Peter Gannett <pgannett_at_hsc.wvu.edu>:

> Taghdir:
>
> Well, you can calculate the solvation energy with MM_PBSA but I'm not
> sure if MM_PBSA will break this down to a per residue basis.
>
> Pete
>
> >>> taghdir_m_at_yahoo.com 09/07 6:08 AM >>>
>
> Dear AMBER users,
>
> I want to calculate solvation enengy of each residue in explicit water.
>
>
> how can I do it.
>
> Thanks in advance
>
>
>
> Taghdir Majid
>
>
>
>
>
>
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