GROMACS 2018.8 release notes¶
This version was released on October 4th, 2019. These release notes document the changes that have taken place in GROMACS since version 2018.7, to fix known issues. It also incorporates all fixes made in previous versions, which you can find described in the Release notes.
Fixes where mdrun could behave incorrectly¶
Fix incorrect pressure when atoms in CMAP cross a box boundary¶
The virial calculation and thus the pressure would be incorrect when the second and third atom involved in a CHARMM CMAP correction term would reside in different periodic images. This can happen when a protein is positioned over a box boundary. Note that the energy and forces were correct, but sampling was affected when pressure coupling was applied when a protein crossed a box boundary.