Dear all, I have issues loading Amber trajectories. First, I load the the topology like this:
load WT.prmtop, WT, 1, top output: ObjectMolecule: Attempting to read Amber7 topology file. TOPStrToCoordSet: Warning: can't currently image a truncated octahedron... load_traj WT.trj, WT output: ObjMolLoadTRJFile-Error: Failed to read expected coordinate value. This traj. does not match the loaded parameter/topology file. Likely cause: either the atom count or the periodic box settings are inconsistent between the two files. My guess is that pymol somehow changes the atom count because it cannot image the truncated box which causes the error with the trajectory. I was thinking about putting the trajectory in a PDB but that would be a file of <20GB in the end. Any comment, positive or negative, would be very much appreciated. cheers Martin _______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
