On Fri, Feb 26, 2021, Swisher, Justin S wrote:
>
>2.) source leaprc.water.tip3p (It does say ERROR: syntax error Couldn't
>scan NUMBER from (+)
Well, this certainly sounds bad: the OW and HW types are created in this
file.
I'm not sure how to attack this problem. By far the most straightforward
thing to do is to update to AmberTools20. Trying to get others to dig up
code from nearly 7 years ago is going to be a losing propostion. Plus,
we don't really know what code you have: the introduction of files like
leaprc.water.tip3p wasn't made until Amber16. So it seems possible that
you are mixing files from different releases.
...hope this helps....dac
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Received on Thu Feb 25 2021 - 18:00:02 PST
