AMBER Archive (2009)

Subject: [AMBER] File format for reading in charges in antechamber

From: Dean Cuebas (deancuebas_at_missouristate.edu)
Date: Sun Oct 04 2009 - 15:20:42 CDT

Dear all,

Can someone tell me the file format (or post an example) for reading in
charges in antechamber using the -c rc -cf <file with charges> flag?

The ambertool manual shows as an example:

antechamber -i mtx.pdb -fi pdb -o mtx.mol2 -fo mol2 -c rc -cf mtx.charge

I have been supplied with RESP charges of my ligands already, and I just
want to read them in to create my gaff parameter mol2 file for my ligand.

Thanks so much in advance!!

Dean

Dr. Dean Cuebas, Associate Professor of Chemistry
deancuebas_at_missouristate.edu, Ph 417-836-8567 FAX 417-836-5507
Dept. of Chemistry, Missouri State University
Springfield, Missouri 65897

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