[gmx-users] ZN charge

[Justin A. Lemkul]

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

-- 
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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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