AMBER Archive (2009)

Subject: [AMBER] antechamber bug: output of incorrect bond character

From: Matthew Walsh (walshmj_at_purdue.edu)
Date: Wed Sep 02 2009 - 13:37:44 CDT

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


  • application/octet-stream attachment: test.mol2

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