Mixed TIP3/TIP4 Waters

From: Keith Battle (keith.battle_at_gmail.com)
Date: Thu Aug 11 2011 - 06:29:18 CDT

Hi All,

Does anyone have experience running a mixed system of TIP3 and TIP4
water? Is there a NBFIX I need to be aware of for non-bonded
interactions of the two models?

I can get a box of TIP4 waters to run just fine. When I add in a TIP3
component the system crashes. I am using NAMD 2.8 at NVE conditions.

Any advice would be greatly appreciated.



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