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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Received on Mon Mar 21 2005 - 16:53:01 PST
