Quoting Neelanjana Sengupta <senguptan.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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Received on Wed Jul 11 2007 - 06:07:04 PDT
