Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
Setting the LD random seed to 110299978
Generated 91 of the 91 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5
Generated 91 of the 91 1-4 parameter combinations
Excluding 3 bonded neighbours molecule type 'ch'
Excluding 1 bonded neighbours molecule type 'CL'
Excluding 3 bonded neighbours molecule type 'lev'
Warning: atom name 1 in chlev.top and 150.pdb does not match (C1 - C)
Warning: atom name 2 in chlev.top and 150.pdb does not match (H2 - H)
Warning: atom name 3 in chlev.top and 150.pdb does not match (H3 - H)
Warning: atom name 4 in chlev.top and 150.pdb does not match (H4 - H)
Warning: atom name 5 in chlev.top and 150.pdb does not match (C5 - C)
Warning: atom name 6 in chlev.top and 150.pdb does not match (H6 - H)
Warning: atom name 7 in chlev.top and 150.pdb does not match (H7 - H)
Warning: atom name 8 in chlev.top and 150.pdb does not match (H8 - H)
Warning: atom name 9 in chlev.top and 150.pdb does not match (C9 - C)
Warning: atom name 10 in chlev.top and 150.pdb does not match (H10 - H)
Warning: atom name 11 in chlev.top and 150.pdb does not match (H11 - H)
Warning: atom name 12 in chlev.top and 150.pdb does not match (H12 - H)
Warning: atom name 13 in chlev.top and 150.pdb does not match (C13 - C)
Warning: atom name 14 in chlev.top and 150.pdb does not match (H14 - H)
Warning: atom name 15 in chlev.top and 150.pdb does not match (H15 - H)
Warning: atom name 16 in chlev.top and 150.pdb does not match (C16 - C)
Warning: atom name 17 in chlev.top and 150.pdb does not match (H17 - H)
Warning: atom name 18 in chlev.top and 150.pdb does not match (H18 - H)
Warning: atom name 19 in chlev.top and 150.pdb does not match (N19 - N)
Warning: atom name 20 in chlev.top and 150.pdb does not match (O20 - O)
(more than 20 non-matching atom names)
WARNING 1 [file chlev.top, line 24]:
7950 non-matching atom names
atom names from chlev.top will be used
atom names from 150.pdb will be ignored
Removing all charge groups because cutoff-scheme=Verlet
Analysing residue names:
There are: 450 Other residues
There are: 150 Ion residues
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 24297.00
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 52x52x52, spacing 0.116 0.116 0.116
Estimate for the relative computational load of the PME mesh part: 0.22
This run will generate roughly 48 Mb of data