Re: [AMBER] tip3p water model in amber14

From: David A Case <>
Date: Fri, 26 Feb 2021 17:13:38 -0500

On Fri, Feb 26, 2021, Swisher, Justin S wrote:
>To clarify though, does the syntax error specifically apply to it not fully
>loading the forcefield and thus not loading in the OW and HW types? I only
>ask because after this error it does show the loading of all the ions and
>other aspects of the file as if it was working normally.

I don't know the answer to your question. But I'm still confused about the
"amber14" part of the subject line here: there was no leaprc.water.tip3p
file in the AmberTools14 release, as far as I can see. And with current
codes, I don't see the error message that you report. So this seems very
hard to track down without more information.


AMBER mailing list
Received on Fri Feb 26 2021 - 14:30:02 PST
Custom Search