[gmx-users] adding an identified number of water molecules

[Justin A. Lemkul]

Maria Hamilton wrote:
> Hi all
> 
> If I want to add a simulation box an identified number of water 
> molecules what should I do?
> In manual I see -nmol and -ci in genbox for insert extra molecules but I 
> don't know for solvent what should I do?
> 

Please read about the -maxsol option.  I think you will find it most informative.

-Justin

> Thanks alot
> 
> Best Regards
> 
> Maria
> 

-- 
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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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