AMBER Archive (2002)

Subject: Re: RESP charges

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Wed Apr 17 2002 - 07:26:27 CDT

Vlad,
have a look at the AMBER manual about resp.

Regards,

Martin

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Martin Lepsik, PhD student            Phone:  +420/2/20183-540, Fax:
+420/2/20183-292
Dept. of Theor Chem & Center for Complex molecular Systems and Biomolecules
Institute of Organic Chemistry and Biochemistry (IOCB)
Flemingovo nam 2,
Czech Academy of Sciences,
166 10, Prague 6,
Czech Rep.
URL: www.uochb.cas.cz/~teochem

----- Original Message -----
From: "Vlad Cojocaru" <Vlad.Cojocaru_at_mpi-bpc.mpg.de>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Wednesday, April 17, 2002 12:53 PM
Subject: RESP charges

> Dear AMBER users,
>   Can somebody give some hints how to generate RESP charges from ESP
> charges calculated with g94?
> Thanks a lot,
> vlad
>
> --
> Vlad Cojocaru
> Max Planck Institut for Biophysical Chemistry
> Deparment: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1389
> e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
> Home Address: Gutenbergstrasse 26/8
>               37075 Goettingen, Germany
> Home tel. number: ++49-551-9963204
> Mobile: ++49-179-6851586
> alternative email: johhnny_ar_at_yahoo.com
>