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tsoc
openmm
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e0dbe15b
"wrappers/python/src/vscode:/vscode.git/clone" did not exist on "b7c9526aa79796e4c3ee9e6be9e38ced047e443f"
Commit
e0dbe15b
authored
Jun 29, 2009
by
Michael Sherman
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parent
83e5bc34
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examples/HelloSodiumChlorideInFortran.f90
examples/HelloSodiumChlorideInFortran.f90
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examples/HelloSodiumChlorideInFortran.f90
View file @
e0dbe15b
...
@@ -216,7 +216,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
...
@@ -216,7 +216,7 @@ SUBROUTINE myInitializeOpenMM(ommHandle, platformName)
! (4) Collect default positions for initializing the simulation later.
! (4) Collect default positions for initializing the simulation later.
call
OpenMM_Vec3Array_create
(
initialPosInNm
,
NumAtoms
)
call
OpenMM_Vec3Array_create
(
initialPosInNm
,
NumAtoms
)
do
n
=
1
,
NumAtoms
do
n
=
1
,
NumAtoms
call
OpenMM_System_addParticle
(
system
,
atoms
(
n
)
%
mass
)
ix
=
OpenMM_System_addParticle
(
system
,
atoms
(
n
)
%
mass
)
ix
=
OpenMM_NonbondedForce_addParticle
(
nonbond
,
&
ix
=
OpenMM_NonbondedForce_addParticle
(
nonbond
,
&
atoms
(
n
)
%
charge
,
&
atoms
(
n
)
%
charge
,
&
...
...
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