Hello Amber users,
I am trying to obtain parameters for a selenocysteine using antechamber. I
have a Gaussian output file with the esp file and when I try to run
antechamber, I get this error:
For atom[7]:Se1, the best APS is not zero, bonds involved by this atom are
frozen
The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8 (aromatic
double)Error: cannot run "/opt/sharcnet/amber/14/bin/bondtype -j full -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
judgebondtype() of antechamber.c properly, exit
Is there a way to fix this problem or some other way to generate parameters
for selenocysteine?
Thank you,
Paul Meister
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Received on Thu Nov 10 2016 - 06:30:03 PST
