REMARKS stream file template for 'hingefind.inp'
REMARKS Part of the 'Hingefind' distribution
REMARKS This software is copyrighted, (c) 1995, by Willy Wriggers under the
REMARKS terms of the legal statement in the distribution.
topology
@topallh22x.pro
@dum.top
end
parameter
@parallh22x.pro
nbonds wmin = 0.3 end
end
! define structure or put pointer to psf here
! (only specify atoms that both pdb files have in common):
segment
name = "AP0"
chain
@toph22.pep
sequence
ASP GLU ASP GLU THR THR ALA LEU VAL CYS
GLU TYR ASP GLU ALA GLY PRO SER ILE VAL
HSP ARG LYS CYS PHE ! and so on
end
end
end
vector do (name="O") (name OT1)
vector do (name="OT") (name OT2)
vector do (name="CD1") (name CD and resname ILE)
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