COLLECTIVE | |||||
COLLECTIVE {real} .. {real} | |||||
Specifies the value of the collective variables used in the projected BAND method. The order of the values is the order of the COLLECTIVE section in the constraints/restraints section | |||||
This optional keyword expects a list of reals | |||||
COORD_FILE_NAME | |||||
COORD_FILE_NAME Name of the xyz file with coordinates (alternative to &COORD section)
| This optional keyword expects a string. Default value:
| |