rtf @TOPPAR:protein.top end

evaluate ($kbbang = 500.0)
evaluate ($kbbimp = 500.0)


parameter @TOPPAR:protein.par end





segment
   name="    "
   SETUP=TRUE
   chain
      @TOPPAR:toph11.pep
sequence
MET GLN ASP ARG VAL LYS ARG PRO MET ASN 
ALA PHE ILE VAL TRP SER ARG ASP GLN ARG
ARG LYS MET ALA LEU GLU ASN PRO ARG MET
ARG ASN SER GLU ILE SER LYS GLN LEU GLY
TYR GLN TRP LYS MET LEU THR GLU ALA GLU
LYS TRP PRO PHE PHE GLN GLU ALA GLN LYS
LEU GLN ALA MET HIS ARG GLU LYS TYR PRO
ASN TYR LYS TYR ARG PRO ARG ARG LYS ALA
LYS MET LEU PRO LYS
end
end
end


delete select (name hd1 and resname his) end
vector do (name "CD") (name CD1 and resname ILE)
vector do (name "HD1") (name HD11 and resname ILE)
vector do (name "HD2") (name HD12 and resname ILE)
vector do (name "HD3") (name HD13 and resname ILE)

{* We are renaming the last Carbon on the ILE. This will match the way it is  *}
{* refered to in the constraints.                                             *}

write psf output=sry_wt_test.psf end

stop