Re: [gmx-users] Simulation cell rotation and CRYST1/periodic box information

30 mar 2007 kl. 12.40 skrev Marc Baaden: Dear All, for convenience I wanted to re-orient a simulation system that's currently running fine by applying a rotation of 270 deg around the y axis (using editconf -rotate 0 270 0). In the corresponding gro file I thus exchanged the x and z box dimen

[gmx-users] Simulation cell rotation and CRYST1/periodic box information

Dear All, for convenience I wanted to re-orient a simulation system that's currently running fine by applying a rotation of 270 deg around the y axis (using editconf -rotate 0 270 0). In the corresponding gro file I thus exchanged the x and z box dimensions to get the right periodicity, going fro