ooo Success Antechamber

Task Info

Created Time

3/9/2021 7:32:33 AM

Updated Time

3/9/2021 7:32:47 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 Total number of electrons: 44; net charge: 0 Running: /usr/local/amber/bin/

Error Message