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Commit 9bfc123b authored by cmaffeo2's avatar cmaffeo2
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Updated treatment of mass in PDB/PSF writer when this information is missing

parent 13ab973c
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......@@ -429,6 +429,10 @@ class PointParticle(Transformable, Child):
resid = p.resid
except:
resid = p.idx+1
try:
mass = p.mass
except:
mass = 1
try:
occ = p.occupancy
......@@ -447,7 +451,7 @@ class PointParticle(Transformable, Child):
idx = p.idx+1,
type = p.type_.name[:7],
charge = p.charge,
mass = p.mass,
mass = mass,
occupancy = occ,
beta = beta
)
......
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