These are the critical lines.
On 2/22/16 2:15 AM, Jesmita Dhar wrote:
> For atom: .R<IAS 231>.A<H 2> Could not find vdW (or other) parameters
> for type: h
> For atom: .R<IAS 231>.A<OD1 12> Could not find vdW (or other)
> parameters for type: o2
It appears you are missing vdw (or other) parameters, aside from a close
contact in your coordinate file and a nonintegral charge. For the
missing parameters, you could investigate gaff force field files that
might be loaded.
Bill
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Received on Mon Feb 22 2016 - 03:00:03 PST
