[gmx-users] Solvent_box

pkmukher pkmukher at olemiss.edu
Thu Jul 12 07:47:09 CEST 2007


  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

Prasenjit Kumar Mukherjee
Graduate Student
Department of Medicinal Chemistry
School of Pharmacy
University of Mississippi

Cell   - 662 380 0146
Office - 662 915 1286 

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