[gmx-users] ionic strength and PME

[Justin A. Lemkul]

vidhya sankar wrote:
> Dear justin,
>                   Thank you for your previous reply.
>                   When i study the effect of ionic strength on stability
> Which Parameter of Electrostatics Should  i use? . If I use usual PME  
> Then will it interfere it with  result?.
> Because My system has Non zero charge  I went through a Literature In 
> that They used The
> "Cut-off"  Coulomb Type But When I use the Same cut-off for my system It 
> shows artifacts
> warning
> Thanks In advance
> 

Mark already answered this earlier:

http://lists.gromacs.org/pipermail/gmx-users/2011-June/062146.html

If your system has a non-zero charge I see no reason why you can't use 
counterions to balance the charge and increase the ionic strength to varying 
degrees from the neutral baseline.

-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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