Many fixes for Charmm-type torsions.
converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Removed sqrt splines and shape stuff (doesn't work, so why was it in there?). Changed some of the water samples to use shifted_force. Probably should set the defaults to use the damped version now that we sped it up.
remove deprecated keywords from samples
just some random changes when testing
fixed some samples
fixing up some samples
added some samples
fixed a bug in MPI restraints
Oops... MPI now builds...
fixes to restraints
fixing restraints
First commit of the new restraints code
fixed a sample
oops...
Back to normal... Oh... Restraints should work in parallel now
just some testing changes, I'll return to the original on next commit
working sample
Fun with ice
Import of OOPSE v. 2.0
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