SAMS improvements and exact PME
Pre-release
Pre-release
This release now uses exact PME via the new offset
feature from OpenMM 7.3 (openmm/openmm#2105) and updates the CDK2 example to use SAMS by default.
This release now uses exact PME via the new offset
feature from OpenMM 7.3 (openmm/openmm#2105) and updates the CDK2 example to use SAMS by default.