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
Debostuti
Indian Institute of Technology Madras
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Received on Tue Dec 20 2011 - 10:00:02 PST
