I'm not getting very far...
parsePBE: Warning -- parsed deprecated "calcforce 0" statement. parsePBE: Please use "calcforce no" instead. PBEparm_check: SDENS not set! NOsh: MG parameters not set correctly! Error while parsing input file.
I'm not getting very far...
parsePBE: Warning -- parsed deprecated "calcforce 0" statement. parsePBE: Please use "calcforce no" instead. PBEparm_check: SDENS not set! NOsh: MG parameters not set correctly! Error while parsing input file.