Ana Silveira

In 2014 we implemented HMC in Lammps, whose latest version is available at https://github.com/atoms-ufrj/fix_hmc. It used to work with both rigid bodies and for flexible molecules. The reason for including...

@akohlmey right now I'm finishing my thesis, but I will be able to resume on this project in a few weeks. Thank you.

This would be an "enhancement" in 0.19.0 version ?

@andrrizzi the last modifications are not working: I do not know how to write `validate_function` in `_StoreProperty` for the dict `criteria`.

Thanks! Are you able to visualize correctly the secondary structure of that pdb with new chains?

It already has the line `%include "swig/typemaps.i"` as I included MyRMSDForce in the old `exampleplugin.i` file. I thought that `Vec3` would require something similar to: ``` /* * The following...

I copied the file `wrappers/python/src/swig_doxygen/swig_lib/python/typemaps.i` to the python directory in openmmexampleplugin and added the `%include` line as follows: ``` %module exampleplugin %include "typemaps.i" %import(module="simtk.openmm") "swig/OpenMMSwigHeaders.i" %include "swig/typemaps.i" ``` I am...