Hi,
Can anybody tell me what is the best way to re-write a trajectory run with periodic boundary conditions such that a molecule (eg. the protein) is chosen as the reference and every other molecule in the system (eg. ligands) is transformed such that its periodic image closest to the reference molecule is chosen. Ive been using trjconv but it seems to be failing for a case where the protein switches image in the trajectory but the ligand does not. Thanks David _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
