GROMACS version: 2022.5
GROMACS modification: Yes/No
Here post your question
gmx_mpi mdrun -v -deffnm md -not??? -dlb yes -pin on -ntomp 7 -pinoffset 0 -pinstride 1
i can’t remember about not ???, i dont have any information ,
please let me know what is not???
( about melting protein )