Re: [AMBER] Format of solventhb.dat file in hydrogen bonding calculation

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 20 Mar 2015 08:23:26 -0600

Hi,

On Mon, Mar 16, 2015 at 8:10 PM, Vijay Achari <glycoamber.gmail.com> wrote:
>
> What is the "V" stand for?
> Is that stand for "H" atom from donor?

V is just a stand-in for non-specific solvent donor/acceptor. So in the case of

BMR_1.H22-V

V stands in for solvent acceptor since BMR_1 is donating the hydrogen.

-Dan

>
> Please clarify this.
>
> Thank you.
> Vijay
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-- 
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Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Fri Mar 20 2015 - 07:30:04 PDT
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