Are you using ntc=2, ntf=2?
This would be required to keep TIP3 H's within the boundary of the O vdw
radius, since the H's have no radius.
Bill
On 9/11/17 5:38 AM, Lizelle Lubbe wrote:
> the atoms 6143 OE1 of GLR389 (the ZN-coordinated Glu) and 12495 H1 of WAR (the ZN-coordinated TIP3p water) overlap
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Received on Mon Sep 11 2017 - 06:30:08 PDT
