I believe sourcing a protein FF like leaprc.protein.ff14SB should be
enough to fix it. The van der Waals parameters you need are in there.
This behavior will be fixed by the next AmberTools release.
-Dan
On Sun, Feb 26, 2017 at 12:51 PM, Geoffrey Gray <gmgray2.mail.usf.edu> wrote:
> I am currently trying to solvate a molecule in a TIP3PBOX in AMBER16. I
> receive an error saying parameters for the TIP3P atoms are not found even
> though I have sourced the leaprc.water.tip3p file. I have also tried the
> following:
>
> ####
> source leaprc.water.tip3p
> a = loadPDB wat.pdb
> saveamberparm a wat.prmtop wat.inpcrd
> quit
>
> ####
>
> Where wat.pdb is a single water molecule used for a test.
>
> This gives the following error:
>
> For atom: .R<WAT 1>.A<O 1> Could not find vdW (or other) parameters for
> type: OW
> For atom: .R<WAT 1>.A<H1 2> Could not find vdW (or other) parameters for
> type: HW
> For atom: .R<WAT 1>.A<H2 3> Could not find vdW (or other) parameters for
> type: HW
>
> >From previous mailing lists, sourcing the leaprc.water.tip3p file should be
> enough.
>
> Any help on how to correct this would be greatly appreciated.
>
> Best,
>
> Geoffrey Gray
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Sun Feb 26 2017 - 11:00:02 PST
