AMBER Archive (2007)

Subject: Re: AMBER: RESP charge generation

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Sun Jul 08 2007 - 05:19:16 CDT

Quoting Neelanjana Sengupta <senguptan_at_gmail.com>:

> 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 @
http://q4md-forcefieldtools.org/

@ http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
you will find many information about RESP charge derivation for amino
acid fragments.

regards, Francois

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