[AMBER] antechamber bug: output of incorrect bond character

From: Matthew Walsh <walshmj.purdue.edu>
Date: Wed, 2 Sep 2009 19:37:44 +0100

Hello,

I have discovered antechamber outputs the incorrect two incorrect bond
characters (#35, #36) for the attached molecule as a result of the
following command:

/usr/local/amber10/exe/antechamber -i ~/test.mol2 -fi mol2 -o out.mol2
-fo mol2 -c gas -at sybyl -j 4 -pf y -nc 1

Thanks for taking a look,
Matt Walsh

Received on Wed Sep 02 2009 - 23:07:47 PDT