On Tue, Oct 24, 2006, Wang, Xuelin wrote:
>
> I am using antechamber to generate a .prepin file for a non-standard
> residue. I have a mol2 file for residue and also have a set of resp charges
> from NWChem calculation.
I doubt that any amber program knows the format of an NWChem output file.
Sounds like you just need to edit the mol2 file by hand, and put the resp
charges in the correct column
...good luck...dac
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Received on Wed Oct 25 2006 - 06:07:28 PDT
