AMBER: Re: AM1-BCC in Amber7

From: Rhonda Torres <torres.scripps.edu>
Date: Mon, 10 Nov 2003 10:22:19 -0800 (PST)

Hi Joey,

I can't tell from your command to run antechamber:

> antechamber -i LIGAND_NO_H_AM1.out -fi gout -o ligand_no_H_am1bcc.mol2 -fo mol2 -c bcc

but what is the input file format you are using? Is it from a g98 output, etc. ?

Rhonda

Rhonda A. Torres
The Scripps Research Institute
Department of Molecular Biology
10550 N. Torrey Pines Rd. TPC 15
La Jolla, CA 92037

email: torres.scripps.edu
phone: (858) 784-9781
fax: (858) 784-8896
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Nov 10 2003 - 18:53:01 PST
Custom Search