HTMD interface
jamesmkrieger opened this issue · comments
This can build MD systems including with membranes, see https://software.acellera.com/htmd/userguide/building.html
They also have tools for running simulations, which may or may not be useful
A Python Package for Protein Dynamics Analysis
jamesmkrieger opened this issue · comments
This can build MD systems including with membranes, see https://software.acellera.com/htmd/userguide/building.html
They also have tools for running simulations, which may or may not be useful