Dear All,
I am using Amber12. I run tleap with leaprc.ff10, and I usually use ion's parameters of "frcmod.ionsjc_tip3p" with TIP3P water box. I am now would like to try the TIP5P water box. My questions are
1. what ion parameters should be used for TIP5P? I can't see frcmod for such water model, only TIP3P and TIP4P are available.
2. Do I need to load "frcmod.tip5p" into tleap for TIP5P?
Thank you very much in advance.
Best Regards,
Xioling
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Received on Tue Jun 11 2013 - 04:00:03 PDT
