AMBER Archive (2004)

Subject: Re: AMBER: resp demo files

From: FyD (fyd_at_u-picardie.fr)
Date: Mon May 03 2004 - 16:40:15 CDT

Dear Kristy,

> I am attempting to perform a multi-conformation charge fit using resp.
> The resp manual says to see /amber5/demo/resp_charge_fit for examples.

If you are interested in RESP tutorials only for "multi-conformational" RESP
fit, you can use RED _as you have it_ with "multi-orientational" RESP fit.
Multi-orientational or multi-conformational use the same types of RESP inputs...

In your case, the RESP tutorial will be useful only for inter-molecule
restraints.

> However, I don't have access to amber and have not been able to find
> these files on the amber webpage. Does anyone have access to these
> files or could point me to their location?

I think they are only available within AMBER 5/6/7/8.

Best regards, Francois

PS
We have a beta-version of RED version 2.0 with multi-conformational and/or
multi-orientational RESP fit. I can send it to you if you are interested...

F.-Y. Dupradeau
 --
The Scripps Research Institute, San Diego, CA
Faculte de Pharmacie, UPJV, Amiens, France
 --
http://www.u-picardie.fr/labo/lbpd/fyd.htm
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