francesco oteri wrote:
Dear gromacs users,
I am inspecting the charmm27.ff/ions.itp file and I noticed that the ZN
ion has a negative charge:
[ moleculetype ]
; molname nrexcl
ZN 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 ZN 1 ZN ZN 1 -2
Is it right?
Clearly not. Please file an issue on redmine.gromacs.org to make sure this gets
fixed.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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