[gmx-users] problem in neutralising my system

[Justin A. Lemkul]

nitu sharma wrote:
> Dear all
> 
>                I am facing a problem in neutralizing my system  which 
> has total nonzero charge :- -1.161999e+01 .
>                so can any one suggest me how much positive charge i have 
> to add my system.?
> I am asking this question becoz i alredy tried to neutrilise when I 
> added +12 np then  system still have +3 charge .
> 
> so please anyone suggest me how much ion will be suitable to neutrilise 
> my system?

Something is badly broken.  Such a fractional charge indicates inappropriate 
parameters, missing atoms, etc.  Go back over what you've done and perhaps start 
over again if you used, i.e. pdb2gmx -missing, when perhaps you shouldn't have.

-Justin

> 
> Thanks a lot .
> 
> Nitu sharma
> 
> 
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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