Generated 100032 of the 100128 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 1
Generated 65937 of the 100128 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'Other_chain_X'
Analysing residue names:
There are: 1 Other residues
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 33.00
The integrator does not provide a ensemble temperature, there is no system ensemble temperature
QMMM Interface with CP2K is active, topology was modified!
Number of QM atoms: 12
Number of MM atoms: 0
Total charge of the classical system (before modifications): 0.00000
Classical charge removed from QM atoms: 0.00000
Total charge of QMMM system (after modifications): 0.00000
Bonds removed: 27
Angles removed: 18
Dihedrals removed: 6
F_CONNBONDS (type 5 bonds) added: 11
This run will generate roughly 1 Mb of data
Back Off! I just backed up nma-em.tpr to ./#nma-em.tpr.1#
GROMACS reminds you: "Does All This Money Really Have To Go To Charity ?" (Rick)