Massimiliano Bonomi

Yes of course. I am using sage for my ligand, plus I have protein and sometimes RNA. I need to create a new system with "omm_forcefield.createSystem" without constraints and rigid...

@mattwthompson "However, exports to GROMACS with virtual sites are not sufficiently supported and might not be for a couple of months." Happy to test an alpha version and provide feedback...

Super, thanks!

Hello! Why don't we have a call and discuss possible PLUMED/LOOS integrations? @GiovanniBussi

Thanks Giovanni, I will look into it! I am happy also to discontinue this Action, as we have a much better and simpler method now (EMMIVox.cpp). I will think a...