On Thu, Feb 25, 2021, Swisher, Justin S wrote:
>My apologies! I didn't see this reply until just now. I'm not used to this
>interface yet.
>
> saveamberparm solux solux_wat.prmtop solux_wat.inpcrd
>Checking Unit.
>Building topology.
>Building atom parameters.
>For atom: .R<WAT 3>.A<O 1> Could not find vdW (or other) parameters for type: OW
>For atom: .R<WAT 3>.A<H1 2> Could not find vdW (or other) parameters for type: HW
>For atom: .R<WAT 3>.A<H2 3> Could not find vdW (or other) parameters for type: HW
We need to see the complete set of commands you gave to leap. If you can
create a small input pdb file that illustrates the problem, that would help
as well.
....dac
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Received on Thu Feb 25 2021 - 12:30:02 PST
