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PDB header

energies of structures in each iteration

REMARK FILENAME="/home/linge/werner1.2/run11/structures/it8/werner1.2_32.pdb"
REMARK ===============================================================
REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,vean
REMARK energies: 1838.58, 36.4741, 191.084, 37.6665, 337.142, 388.097, 0, 848.121,
0, 0, 0, 0
REMARK ===============================================================
REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,vean
REMARK rms-dev.: 4.877767E-03,0.672506,0.55669,17.6079,0.223152,0,0, 0, 0
REMARK ===============================================================
REMARK               noe,cdih,coup,sani,vean
REMARK               >0.5,>5,>1,>0,>5
REMARK violations.: 21, 0, 0, 0, 0
REMARK ===============================================================
REMARK DATE:10-Nov-2001  10:22:13       created by user: linge
REMARK VERSION:1.2



Jens Linge 2002-08-01