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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Received on Sun Feb 26 2017 - 10:00:02 PST
