The center of mass of the position restraint coord's is 5.447 5.436 5.435
The center of mass of the position restraint coord's is 5.447 5.436 5.435
Analysing residue names:
There are: 576 Protein residues
There are: 1 Other residues
There are: 39557 Water residues
There are: 11 Ion residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group System is 258330.00
The largest distance between excluded atoms is 6.929 nm between atom 78527 and 78528
ERROR 1 [file pr.mdp]:
The largest distance between excluded atoms is 6.929 nm between atom
78527 and 78528, which is larger than the cut-off distance. This will
lead to missing long-range corrections in the forces and energies.