[gmx-users] Box of water

[cuong nguyen]

Thanks,

I tried to add -maxsol 846 to the command and got the box with 846 water
molecules. However, when I use VMD to visualize the box, these molecules
concentrate on 1/3 the box space. I do need the molecules to spread out
whole box.

Cheers,
Cuong

2012/5/1 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> 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
>
> --
> ==============================**==========
>
> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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-- 
Nguyen Van Cuong
PhD student - Curtin University of Technology
Mobile: (+61) 452213981
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