AMBER Archive (2005)

Subject: Re: AMBER: Making prepin file for individual residues of huge molecule.

From: David A. Case (case_at_scripps.edu)
Date: Mon Mar 21 2005 - 10:27:23 CST

On Mon, Mar 21, 2005, Hwankyu Lee wrote:
>
> Could you tell me how to effectively generate prepin files (with
> appropriate partial charges) in this situation, which is about making
> prepin for incomplete residue of big molecule?

There is some useful information about building "incomplete" residues here:

    http://amber.scripps.edu/antechamber/pro4.html

I hope you will be able to adapt these ideas to your situation.

...good luck...dac

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