Miscellaneous¶

grompp no longer modifies nstcomm¶

grompp will no longer set nstcomm, the interval for center of mass motion removal, equal to nstcalcenergy when nstcomm < nstcalcenergy. A note is still printed in that case.

Bonded atom types names can now start with a digit¶

Bonded atom types names in topologies were not allowed to start with a number. Now all names are supported that contain at least one non-digit character.