Dear
I have peptoid residues (the side chain of the amino acids is attached to the amide nitrogen rather then to the alpha carbon) and cannot load them in antechamber.
please help
Regards
Avneet
"David A. Case" <case.scripps.edu> wrote: 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 Sun Oct 29 2006 - 06:07:02 PST
