Commit a8783de3 authored by Michael Sherman's avatar Michael Sherman
Browse files

Reworked the Ethane example to use the same structure as the NaCl one, and...

Reworked the Ethane example to use the same structure as the NaCl one, and made a few minor changes to NaCl too.
parent 138c1c88
This diff is collapsed.
......@@ -129,9 +129,9 @@ int main() {
// (3) Write a PDB frame when the time comes.
printf("REMARK Using OpenMM platform %s\n", platformName.c_str());
myGetOpenMMState(omm, WantEnergy, time, energy, atoms);
myWritePDBFrame(0, time, energy, atoms);
myWritePDBFrame(1, time, energy, atoms);
for (int frame=1; frame <= NumReports; ++frame) {
for (int frame=2; frame <= NumReports; ++frame) {
myStepWithOpenMM(omm, NumSilentSteps);
myGetOpenMMState(omm, WantEnergy, time, energy, atoms);
myWritePDBFrame(frame, time, energy, atoms);
......
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