From: Jernej Zidar (jernej.zidar_at_gmail.com)
Date: Thu Aug 11 2011 - 07:28:29 CDT
I think you're not supposed to mix the two.
TIP3 and TIP4 are two quite different models.
Best,
Jernej
On 11. avg. 2011, at 19:29, Keith Battle wrote:
> 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.
>
> Best,
>
> Keith
>
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:34 CST