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 10:46:22 -0500 (EST)

Sender: MARTIN%CMDA <MARTIN@cmda.abbott.com>
Subject: Re: WSN: MD of solvation

I would recommend that you look into Jorgensen's program BOSS.  William
Dunn III has done some work with that program as well.  Jorgensen is the
parameterizer of water that everyone uses, so I think he understands it
pretty well.  They use Monte Carlo rather than MD usually.  There was a
comparison of this approach to the AMSOL model in ChemTracts last year or
the year before.

Yvonne Martin
Abbott Laboratories

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