I am currently trying to create a Boron atom type using antechamber and
have run into an issue: antechamber does not recognize Boron.
The instructions I have been following to create a frcmod file from CB.pdb
are two steps as follows:
antechamber -i CB.pdb -fi pdb -o CB.prepin -fo prepi -c bcc -j 4 -at gaff
parmchk -i CB.prepin -o CB.frcmod -f prepi
The "antechamber" stage gives an output with blank spaces for the Boron
atoms. Is there a way to tell antechamber about new atoms?
Thanks!
Sarah
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Received on Wed May 23 2012 - 15:00:02 PDT
