Hi,
Forget about PQR, considering the context of algorithms inside the tleap,
0.8 Å radii should be the value that LEaP intended to assign.
So now I attached yet another patch, hopefully that can solve the problem.
Best,
--
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> Here I provide in the attachment a patch to src/leap/src/leap/unitio.c: After
> patching, both directly loading WAT and solvate commands produce 1.2 Å radii
> for HW.
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Received on Mon Nov 30 2009 - 18:30:03 PST
