Open mircodaniel opened 1 year ago
I found a bug in Tinker9. When I use the keyword 'NONBONDTERM ONLY' in the .key file, Tinker9 only calculates van der Waals term and charge-charge interaction is always zero.
A little more precisly the issue occurs when I use MMFF force field. With other force fields (OPLSAA and AMOEBA09) I have no problem.
I found a bug in Tinker9. When I use the keyword 'NONBONDTERM ONLY' in the .key file, Tinker9 only calculates van der Waals term and charge-charge interaction is always zero.