AMBER Archive (2009)

Subject: [AMBER] antechamber bug report

From: Matthew Walsh (walshmj_at_purdue.edu)
Date: Mon Aug 31 2009 - 11:43:08 CDT

Hello,

I have discovered a bug in antechamber.

Antechamber produces an incorrect sulfur atom type with the "-at
sybyl" option. The sybyl atom type ought to be 'S.3', but a lower case
's' is produced instead ('s.3').

Here is a table of correct atom types: http://tripos.com/mol2/atom_types.html

Thank for taking a look at this,
Matt Walsh

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber