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tsoc
openmm
Commits
fa11f993
Commit
fa11f993
authored
Jun 06, 2014
by
peastman
Browse files
Fixed incorrect units in CharmmCrdFile
parent
b540b4b8
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wrappers/python/simtk/openmm/app/charmmcrdfiles.py
wrappers/python/simtk/openmm/app/charmmcrdfiles.py
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wrappers/python/simtk/openmm/app/charmmcrdfiles.py
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fa11f993
...
...
@@ -64,7 +64,7 @@ class CharmmCrdFile(object):
self
.
resname
=
[]
# Residue name
self
.
resid
=
[]
# Residue ID
self
.
attype
=
[]
# Atom type
self
.
positions
=
[]
# 3N atomic coordinates
self
.
positions
=
[]
*
u
.
angstroms
# 3N atomic coordinates
self
.
title
=
[]
# .crd file title block
self
.
segid
=
[]
# Segment ID
self
.
weighting
=
[]
# Atom weighting
...
...
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