On Tue, Dec 09, 2014, Haining Liu wrote:
>
> I want to add MgCl2 salt to my system. Is there any way to do this in leap?
> Looks like addions cannot do this. Anyone knows if this can be done?
Use addIons twice: once to add the desired number of Mg2+ ions, then a second
time to add twice that many Cl- ions. See Section 3.9 ("Ions") in the
Amber14 Reference Manual.
....dac
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Received on Tue Dec 09 2014 - 19:00:03 PST
