[gmx-users] adding molecules

[David van der Spoel]

On Wed, 2005-06-15 at 10:54 -0500, Dinesh Pinisetty wrote:
> 
> 
> 
> Hello,
>       I want to add 20 molecules of type 'A' in a box of specified
> dimensions. I tried to use genbox as follows:
>   genbox -cp singleA.gro -cs A.gro -nmol 20 -box 6.32000 4.80000 2.70000 -o
> boxfilledA.gro

try -ci singleA.gro

> 
> When I check boxfilledA.gro I have more than 20 molecules i.e around 50-60
> molecules. Its a huge difference. What might be the problem here. How do I
> need to add only required number of 20 molecules in the box of the above
> defined specified dimensions.
>   Any suggestions would be greatly appreciated.
> Thanking you,
> Dinesh.
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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