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

From: Vijay Achari <glycoamber.gmail.com>
Date: Tue, 24 Mar 2015 16:14:54 +0800

Thanks for the info.

Regards
Vijay

On Fri, Mar 20, 2015 at 10:23 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> 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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>
>
> --
> -------------------------
> 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 Tue Mar 24 2015 - 01:30:03 PDT
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