On Mon, Mar 16, 2015, Sohag Biswas wrote:
>
> In attempt to create a topology file for oxonium cation from pdb file by
> following command, it is showing,
>
> For atom[1]:O1, the best APS is not zero, bonds involved by this atom are
> frozen
To add to what Hannes said: the message above is just for information, and is
not an error.
As with all antechamber output, you should treat the resulting force field
with care: it is often just a first pass. In this case, look carefully at the
atom types and parameters associated with atom O1.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 16 2015 - 05:00:03 PDT
