Index

Restraints dictionary version 3.1

_restr_distance_min.A

Name:
_restr_distance_min.A

Alias:
_restr_distance_min_A

Definition:

   

      The weight associated with the difference between the
      refined distance D and the prescribed minimum distance
      (B or F) is given by the expression

      w = A*(B/D)^C^ + E*exp((D-F)/G)

      A and E are dimensionless weighting parameters.
      Either function could be used alone by setting A or E to zero.
      The default values of A and E are zero.

      If A=0, B and C are undefined; if E=0, F and G are undefined.

      A hard-sphere contact can be generated by setting E=1,
      F=prescribed minimum distance and G=0.  In this case G
      (combined with a non-zero E) should be treated as a flag
      indicating a hard-sphere interaction with a target distance
      of F so as to avoid division by zero.

Type: Real

The permitted range is 0 → infinity

Enumeration default: 0

Category:
restr_distance_min