Commit c73587b9 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Mods for GBVIForce interface methods to switching function for Born radii calculation

parent 881d5570
...@@ -406,6 +406,9 @@ UNITS = { ...@@ -406,6 +406,9 @@ UNITS = {
: (None, ('unit.elementary_charge', : (None, ('unit.elementary_charge',
'unit.nanometer', 'unit.dimensionless')), 'unit.nanometer', 'unit.dimensionless')),
("GBVIForce", "getNonbondedMethod") : (None, ()), ("GBVIForce", "getNonbondedMethod") : (None, ()),
("GBVIForce", "getBornRadiusScalingMethod") : (None, ()),
("GBVIForce", "getQuinticLowerLimitFactor") : (None, ()),
("GBVIForce", "getQuinticUpperBornRadiusLimit") : (None, ('unit.nanometer')),
("GBVIForce", "getBondParameters") ("GBVIForce", "getBondParameters")
: (None, (None, None, 'unit.nanometer')), : (None, (None, None, 'unit.nanometer')),
("GBVIForce", "getParticleParameters") ("GBVIForce", "getParticleParameters")
...@@ -424,7 +427,7 @@ UNITS = { ...@@ -424,7 +427,7 @@ UNITS = {
("GBVISoftcoreForce", "getNonbondedMethod") : (None, ()), ("GBVISoftcoreForce", "getNonbondedMethod") : (None, ()),
("GBVISoftcoreForce", "getBornRadiusScalingMethod") : (None, ()), ("GBVISoftcoreForce", "getBornRadiusScalingMethod") : (None, ()),
("GBVISoftcoreForce", "getQuinticLowerLimitFactor") : (None, ()), ("GBVISoftcoreForce", "getQuinticLowerLimitFactor") : (None, ()),
("GBVISoftcoreForce", "getQuinticUpperBornRadiusLimit") : (None, ()), ("GBVISoftcoreForce", "getQuinticUpperBornRadiusLimit") : (None, ('unit.nanometer')),
("GBVISoftcoreForce", "getTanhParameters") : (None, ()), ("GBVISoftcoreForce", "getTanhParameters") : (None, ()),
("HarmonicAngleForce", "getAngleParameters") ("HarmonicAngleForce", "getAngleParameters")
: (None, (None, None, None, 'unit.radian', : (None, (None, None, None, 'unit.radian',
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment