Hi, I have a Desmond trajectory that has PBC imaging problems that only gmx trjconv can solve (with the cluster option, hopefully). I converted the trajectory file to trr, but for some reason trjconv needs a tpr file, I am not sure I understand why since no force field info is needed for imaging. I was hoping that Intermol will help, but during the conversion it complains about some missing dihedral info. I attached the cms file and the Intermol error log. Could you help converting this file to tpr? Many thanks, Istvan
error_log.gzvillinle-2x2x2-NPT-10us-repaired-out.cms.gz
Hi, I have a Desmond trajectory that has PBC imaging problems that only gmx trjconv can solve (with the cluster option, hopefully). I converted the trajectory file to trr, but for some reason trjconv needs a tpr file, I am not sure I understand why since no force field info is needed for imaging. I was hoping that Intermol will help, but during the conversion it complains about some missing dihedral info. I attached the cms file and the Intermol error log. Could you help converting this file to tpr? Many thanks, Istvan error_log.gz villinle-2x2x2-NPT-10us-repaired-out.cms.gz