On Fri, Mar 06, 2015, Robert Molt wrote:
> > In attempting to create a parameter file for BF4-, using
> > the following command:
> >
> > antechamber -i 1.log -fi gout -o bf4.mol2 -fo mol2 -c bcc -nc -1
Not many peoaple use a gout file just to get the coordinates of an input
molecule. So, there could be some previously unknown bug here (perhaps in
understanding what element each atom should have?)
Can you post the gout file, so that we can try to reproduce the problem?
In the meantime, consider using a different input file format.
...thx...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 06 2015 - 18:30:03 PST
