add "optimized" argument to dof.create_rigid_body

[jkosinski]

Would be useful to pass optimized as a True/False option to the create_rigid_body method, so that:

    def create_rigid_body(self,
                          body,
                          nonrigid_parts = None,
                          max_trans=1.0,
                          max_rot=0.1,
                          nonrigid_max_trans = 0.1,
                          name=None,
                          optimized=True):
        ...
        rb.set_coordinates_are_optimized(optimized)
        ...

[cgreenberg]

If you don't want to optimize it, easier (and less confusing?) to just not pass the mover to Replica Exchange, no?

[jkosinski]

Right, but what about conjugate gradient?
On Aug 21, 2015 9:47 PM, "Charles Greenberg" notifications@github.com
wrote:

If you don't want to optimize it, easier (and less confusing?) to just not
pass the mover to Replica Exchange, no?

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Reply to this email directly or view it on GitHub
#129 (comment).

[jkosinski]

Ok, ignore this, since Ben just explained to me that CG doesn't deal with
rbs.
On Aug 21, 2015 10:00 PM, "Jan Kosinski" jan.kosinski@gmail.com wrote:

Right, but what about conjugate gradient?
On Aug 21, 2015 9:47 PM, "Charles Greenberg" notifications@github.com
wrote:

If you don't want to optimize it, easier (and less confusing?) to just
not pass the mover to Replica Exchange, no?

—
Reply to this email directly or view it on GitHub
#129 (comment).