"serialization/vscode:/vscode.git/clone" did not exist on "a39e5bee9f076f8eadeccda8d72575b9f96c6c62"
Commit c6dc302d authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Mods

parent 337d4842
...@@ -87,12 +87,14 @@ void testMotionRemoval( FILE* log ) { ...@@ -87,12 +87,14 @@ void testMotionRemoval( FILE* log ) {
HarmonicBondForce* bonds = new HarmonicBondForce(1); HarmonicBondForce* bonds = new HarmonicBondForce(1);
bonds->setBondParameters(0, 2, 3, 2.0, 0.5); bonds->setBondParameters(0, 2, 3, 2.0, 0.5);
system.addForce(bonds); system.addForce(bonds);
NonbondedForce* nonbonded = new NonbondedForce(numberOfParticles, 0); NonbondedForce* nonbonded = new NonbondedForce(numberOfParticles, 0);
for (int i = 0; i < numberOfParticles; ++i) { for (int i = 0; i < numberOfParticles; ++i) {
system.setParticleMass(i, (double) (i+1) ); system.setParticleMass(i, (double) (i+1) );
nonbonded->setParticleParameters(i, (i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0); nonbonded->setParticleParameters(i, (i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
} }
system.addForce(nonbonded); system.addForce(nonbonded);
CMMotionRemover* remover = new CMMotionRemover( 1 ); CMMotionRemover* remover = new CMMotionRemover( 1 );
system.addForce(remover); system.addForce(remover);
OpenMMContext context(system, integrator, platform); OpenMMContext context(system, integrator, platform);
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment