<t>Thanks!<br/> We have an automated multi-platform build+test system that builds everything from sources. Handling external binaries in this system will be a major contortion.<br/> In our context, MD isn't the rate-limiting step. I'd be happy to "pay" with a runtime penalty for the ability to build...

<t>In Simmatrix.pdf I found:<br/> <br/> > The basic types, and general behavior, are modeled<br/> > after the very successful Matlab system with the<br/> > expectation (but not requirement) of LAPACK and BLAS<br/> > style implementation.runtime.<br/> <br/> Does it mean SimTK can be built without LAP...

<r>Hi Peter,<br/> <br/> > If you set it to only run a finite number of times<br/> > and then put it through Valgrind, does it report<br/> > anything?<br/> <br/> Yes:<br/> <br/> <URL url="http://cci.lbl.gov/~rwgk/tmp/simtk/ExampleSimpleProtein.cpp_2008_07_16_1509_valgrind_log"><LINK_TEXT text="http:/...

Sorry, a bit of code at the end was missing:

int main()
{
while (true) {
std::cout << "WORK" << std::endl;
work();
}
return 0;
}

<t>I'm experimenting with the SimTK 1.0 Linux Release binary and SimTKExamples1.0c.zip posted yesterday.<br/> <br/> My interest is implementation of torsion angle dynamics in a crystallographic refinement program. Therefore I'm concentrating on ExampleSimpleProtein.cpp and the new adenylate_mobiliti...