Dear all,
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.
When, I image these ions back inside the periodic box, they are badly
overlapping with system and resulting the crash of simulation during the
minimization.
Any suggestion to overcome this issue ?
Thanks a lot for your valuable time.
--
*With Regards,HIMANSHU JOSHI Graduate Scholar, Center for Condense Matter
TheoryDepartment of Physics IISc.,Bangalore India 560012*
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Received on Wed Jan 06 2016 - 00:00:03 PST
