Miscellaneous¶
Status of MDModules that require an external library is now logged¶
Support status of CP2K QM/MM, Colvars, Plumed & Neural Network Potential modules
along with the version of libraries they use are now reported
in md.log
and gmx --version
.
Invalid -nstlist
value is now an error instead of a warning¶
An invalid (e.g., too large) -nstlist
value now triggers a fatal error instead
of falling back to the fixed value from the TPR.