Re: WSN: MD of solvation (fwd)

To: Water Science Network <water@gibbs.oit.unc.edu>
Subject: Re: WSN: MD of solvation (fwd)
From: Water Science Network Administrator <wsn-adm@mmlds1.pha.unc.edu>
Date: Tue, 1 Mar 1994 20:33:03 -0500 (EST)

Sender: Humberto saint Martin <humberto@ce.ifisicam.unam.mx>
Subject: Re: WSN: MD of solvation

On Feb. 28, Brad Isbister asks for n MD program to study the solvation of
some carbohydrates. Y. Martin suggested the program BOSS, with Jorgensen's
OPLS potentials, which is undoubtedly a very good option. An alternative is
the GROMOS code, which has the ``other'' water potential used by everybody,
SPC.   Aldert van Buuren, from Groningen, has made some recent work on the
solvation of carbohydrates, and found that the potential had to be 
reparametrized.   His e-mail address is aldert@chem.rug.nl

--

                         Humberto Saint Martin

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