[gmx-users] Box of water

[Justin A. Lemkul]

On 4/30/12 10:02 PM, cuong nguyen wrote:
> Dear Gromacs Users,
>
> I used the command "genbox -cs spc216.gro -o box1.g96 -p topol.top -box 3 3 10"
> to create box of 3010 water molecules. However, now I need to create a same size
> box with only 846 water molecules. Please help me to do this.
>

Use the -maxsol option when invoking genbox.

-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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