On Fri, Feb 09, 2018, Nikolay N. Kuzmich wrote:
> AddIons command didn't work here.
The two likely problems:
a. You didn't source a leaprc.water.xxx file, and hence did not get
divalent ions loaded. You can check this using the "list" command
tleap to see if you have (say) a unit called MG.
b. You made some mistake in calling addions.
If looking closely at the tleap output doesn't pinpoint the problem, please
provide the complete tleap commands and the associated error message.
....dac
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Received on Fri Feb 09 2018 - 05:00:02 PST
