Re: AMBER: resp demo files

From: FyD <>
Date: Mon, 03 May 2004 23:40:15 +0200 (CEST)

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

> 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

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
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Mon May 03 2004 - 22:53:01 PDT
Custom Search