Fix incorrect charge in HISE.
authorJustin Lemkul <jalemkul@vt.edu>
Mon, 3 Oct 2016 11:32:58 +0000 (07:32 -0400)
committerJustin Lemkul <jalemkul@vt.edu>
Mon, 3 Oct 2016 11:32:58 +0000 (07:32 -0400)
commit67921a5188f212d80bd54c726a11e11dc316d4ad
tree5d09987721f5248845b184cccc097bf26f5bdc14
parent9de0ecabafc51566b0be96edddbd61d30ef2e31e
Fix incorrect charge in HISE.

Revision 1a60bdbfb5e6b11e52783a6afa26e615f15f1be0 introduced an
incorrect charge on HISE CG, which leads to a fractional charge
on the residue.  Any simulation with this charge will be wrong.

Fixes #2013

Change-Id: I9f80daf3dda2cd71715d4e15d6c868c6e47b48cc
share/top/oplsaa.ff/aminoacids.rtp