MAL Success Antechamber

Task Info

Created Time

1/8/2021 5:02:46 AM

Updated Time

1/8/2021 5:02:54 AM

Progress


Output Files


Information

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

None