On Wed, Jan 06, 2016, Himanshu Joshi wrote:
> I am adding ions to my system after solvating it with TIP3PBOX in xleap.
> After adding Mg ions, if I add Cl- ions to built a system with desired
> molarity,
> xleap is placing the ions out of the periodic box set up by previous
> solvation command.
Can you give the exact list of commands you used? Do you get different/better
behavior if you use addIons2 or addIonsRand?
...dac
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Received on Wed Jan 06 2016 - 05:00:03 PST
