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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--
========================================
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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