[gmx-developers] Water innerloop

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 28 05:01:19 CET 2006

Yang Ye wrote:
> Hi,
> Is there any technique to accelerate computation for CHARMM TIP3P water 
> of which H has LJ interactions?

I didn't think TIP3P had LJ interactions. Am I wrong? CHARMM forcefields 
are optimized for TIP3P solvent, but the papers imply it's standard TIP3P...


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