[AMBER] generating top file using antechmaber

From: sarvin moghaddam <moghaddam.umbi.umd.edu>
Date: Wed, 28 Jan 2009 14:49:20 -0500

Hi,

I was wondering if I can generate the top file using antechamber having
the mol file. I know it should sound very trivial for Amber users but I
am a beginner and have read all the antechmaber related parts in Amber
manual and also the paper by Case et. al. But still was wondering if I
only can get the top file by:

antechamber -i test.mol -fi mol -o test.? -fo ?

I have the mol file generated by ACD/ChemSketch

Appreciate your help.

Thanks!
Sarvin



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 30 2009 - 01:29:57 PST
Custom Search