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tsoc
openmm
Commits
5cf7f74c
Commit
5cf7f74c
authored
May 21, 2014
by
Jason Swails
Browse files
Add a natom attribute to AmberNetcdfRestart.
parent
d3fd7d5a
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wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
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wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
View file @
5cf7f74c
...
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@@ -1173,6 +1173,7 @@ class AmberNetcdfRestart(object):
# accidentally leaks the file handle, but that was 'fixed' in 0.13. This
# fix taken from MDTraj
with
NetCDFFile
(
filename
,
'r'
)
as
ncfile
:
self
.
natom
=
ncfile
.
dimensions
[
'atom'
]
self
.
coordinates
=
np
.
array
(
ncfile
.
variables
[
'coordinates'
][:])
if
'velocities'
in
ncfile
.
variables
:
vels
=
ncfile
.
variables
[
'velocities'
]
...
...
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