On Fri, Feb 08, 2013, ?????? wrote:
>
> I tried to build the .frcmod file for fpba(4-formyl-phenyl-boronic acid) by
> parmchk. but the .frcmod file was like this:
First, it look like you asked for Amber atom types, which won't help very
much, since boron does not appear in standard biomolecules. But asking for
gaff types will only help a little bit, since the gaff force field doesn't
know anything about boron. My first step would be a literature search for
molecular mechanics parameters for boronic acids.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 08 2013 - 05:30:03 PST
