Re: AMBER: RESP charge generation

From: FyD <>
Date: Sun, 08 Jul 2007 12:19:16 +0200

Quoting Neelanjana Sengupta <>:

> I am trying to use antechamber to generate RESP charges for my un-natural
> peptide. I use Gaussian to create a .log file after some energy optimization
> (I use an initial pdb file for the peptide). On doing this:

You might wish to look at tutorials available .

you will find many information about RESP charge derivation for amino
acid fragments.

regards, Francois

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jul 11 2007 - 06:07:04 PDT
Custom Search