[gmx-users] Reshape triclinic box to rectangular using trjconv?

Max Watson maxxcw at gmail.com
Wed Jul 20 00:40:57 CEST 2011

My simulation was performed within a triclinic box and I would like to
reshape it into a rectangular box for post-processing analysis. I tried
"/trjconv -o traj.pdb -ur rect -pbc -mol " but the new .pdb file still has
triclinic geometry. Can someone please help?


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