Subject: Re:

From: angelo vargas <[email-masked]>
Date: Mon, 10 Feb 2003 11:47:25 +0100

Hello all

can anybody send me an example of a G98 input file for an AMBER molecular mechanics calculation?

Can you do a constrained calculation with G98 molecular mechanics?

The guide is extremely synthetic concerning this module.

Thanks
Angelo

_______________________________________________________________________
Angelo Vargas
Laboratory of Technical Chemistry
Department of Chemical Engineering and Industrial Chemistry
Swiss Federal Institute of Technology (ETHZ)
ETH Hönggerberg,   Telefon:  0041/1/633 42 32, Room HCl E 129
Zürich - Switzerland       Fax:      0041/1/632 11 63
E-mail:   [email-masked]
http://mercury.ethz.ch/members/vargas/
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