[AMBER] antechamber for boron

From: DEBOSTUTI GHOSHDASTIDAR <debostutighosh.gmail.com>
Date: Tue, 20 Dec 2011 23:06:46 +0530

Hi all

I am running antechamber for a molecule containing boron and it gives
the following error:

"the best APS is not zero, bonds involved by this atom are frozen"

>From the mails in the archive I understand that this is because the
APS parameters for Boron are not included in the
$AMBERHOME/dat/antechamber/APS.dat file. Could someone please help me
out with the APS parameters for Boron?

Thanks in advance


Indian Institute of Technology Madras

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Received on Tue Dec 20 2011 - 10:00:02 PST
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