Hi Chandan, > fr.box[XX][XX], fr.box[YY][YY] and fr.box[ZZ][ZZ] gives me the values > but fr.box[XX][YY], fr.box[XX][ZZ] prints 0. Which seems to me that the > origin of the box is at (0,0,0). Then, fr.box[XX][XX] is the maximum > X-coordinate, fr.box[YY][YY] is the maximum Y-coordinate,fr.box[ZZ][ZZ] is > the maximum Z-coordinate. Am I correct?
That's correct if the box is rectangular. If it's triclinic, the furthest point has (xx+yx+zx,yy+zy,zz), where xx stands for fr.box[XX][XX]. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
