Re: [AMBER] Some notes

From: David Case <>
Date: Sat, 14 Jan 2017 15:41:03 -0500

On Sat, Jan 14, 2017, Erik Zuiderweg wrote:
> (2) leap issue for the manual:
> I still have not found in the amber16 manual that with ff14SB one has to
> explicitly add the water model forcefield

Please see p. 33 (Beginning of Chapter 3) of the Amber 2016 Reference Manual.
I have added a more explicit warning about the fact that there is no longer a
default water model.

The change is also highlighted on the Web page, under "Changes to Amber
Workflows in AmberTools16".


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Received on Sat Jan 14 2017 - 13:00:02 PST
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