[gmx-users] Box of water

Justin A. Lemkul jalemkul at vt.edu
Tue May 1 04:06:50 CEST 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list