Closed BerndDoser closed 3 years ago
In the case the COM positions of ligand and receptor are in different periodical units, the ligand-receptor distance is too long. If the distance is larger than the half unit cell, the distance have to be corrected by the unit length.
In the case the COM positions of ligand and receptor are in different periodical units, the ligand-receptor distance is too long. If the distance is larger than the half unit cell, the distance have to be corrected by the unit length.