part1 Success Antechamber

Task Info

Created Time

3/10/2020 11:16:04 AM

Updated Time

3/10/2020 11:16:13 AM


Output Files


Output Message

Warning: the assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c Be cautious, use a large value of PSCUTOFF (>100) will significantly increase the computation time

Error Message