Commit 31f7f355 authored by huangj's avatar huangj
Browse files

Add excetion parameters into NBThole so all nonbonded forces have identical exclusions.

parent ba8c16da
...@@ -1412,6 +1412,10 @@ class CharmmPsfFile(object): ...@@ -1412,6 +1412,10 @@ class CharmmPsfFile(object):
ii, jj, q, eps, sig = force.getExceptionParameters(i) ii, jj, q, eps, sig = force.getExceptionParameters(i)
cforce.addExclusion(ii, jj) cforce.addExclusion(ii, jj)
system.addForce(cforce) system.addForce(cforce)
if has_drude_particle and has_nbthole_terms:
for i in range(force.getNumExceptions()):
ii, jj, q, eps, sig = force.getExceptionParameters(i)
nbtforce.addExclusion(ii, jj)
# Add GB model if we're doing one # Add GB model if we're doing one
if implicitSolvent is not None: if implicitSolvent is not None:
......
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