[gmx-users] Solvent_box

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 12 07:55:01 CEST 2007


pkmukher wrote:
> Hi,
> 
>   I am trying to build a triclinic solvent box around
> two.pdb using the following commands
> 
> editconf -bt triclinic -f two.pdb -o three.pdb -d 0.9 -box
> 20 10 10
> genbox -cp three.pdb -cs spc216.gro -o four.pdb -p two.top
> 
> 
> 
> However the generated pdb file four.pdb shows a cubic
> solvation box instead of a triclinic box.Could you please
> suggest how i should modify the command.Thanks

Have you looked at section 3.2 of the manual?

Mark



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