Setup_Enefunc_Nonb> atom class is not defined: "H5T" rank_no = 0 Author Posts Actions Dec 27th, 2017 at 9:46 am #6349 al614Participant Dear all, I was wondering if you could help me with an error message below, to identify the origin of my problem: Setup_Enefunc_Nonb> atom class is not defined: “H5T” rank_no = 0 any help/suggestions will be highly appreciated! Actions Dec 28th, 2017 at 11:26 am #6357 jwjungModerator I guess there are mismatches between inputs. For example, if you make use of CHARMM, there might be an atom class named “H5T” but not in parameter file. Could you check if the atom class name “H5T” is defined in your parameter file? You must be logged in to reply to this topic.