Dear amber users,
I have a molecule which is having a oxygen connected with three atoms.
Since there is no bond type defined for such a system in antechamber,
running antechamber giving following error.-
For atom[1]:O1, the best APS is not zero, exit
Error: cannot run "/usr/local/amber9/exe/bondtype -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac -j full" in
judgebondtype() of antechamber.c properly, exit
Can anybody help me in this regards, like how to modify the antechamber
files or anything else.
Any help will be highly appreciated.
--
Abhi
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Received on Tue Nov 27 2012 - 22:00:04 PST
