The HT-HT-OT angle parameter for TIP3?

From: Shirley Li (
Date: Thu Dec 22 2005 - 14:57:19 CST

Dear NAMD expert,
 I was running minimization with NAMD. It crashed with the complaint of the HT-HT-OT angle parameter. I checked the NAMD parameter file and saw that only HT-OT-HT angle param is provided for TIP3, not HT-HT-OT. I wonder if the HT-HT-OT is needed in general. In my case, should I add the HT-HT-OT angle to the parameter file?
 Any information/comment will be greatly appreciated. BTW, my system has both crystal water and solvent, both with the same resname "TIP3" while different segname.
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