X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgeomout.F;h=d21b400dfe58de16f0783505cb80b082be0156e5;hb=300f66c80e1f9c5f51b79582e90b8b8dd87559b0;hp=6fd71c542a3dfa09acd0b028cb0e26ca4e596ab7;hpb=28a980314f89f92e340bfa8d784d912073384ff4;p=unres.git diff --git a/source/unres/src_MD-M/geomout.F b/source/unres/src_MD-M/geomout.F index 6fd71c5..d21b400 100644 --- a/source/unres/src_MD-M/geomout.F +++ b/source/unres/src_MD-M/geomout.F @@ -24,7 +24,7 @@ cmodel write (iunit,'(a5,i6)') 'MODEL',1 & restyp(iti),hfrag(1,j)-1, & restyp(itj),hfrag(2,j)-1,1,hfrag(2,j)-hfrag(1,j) else - write (iunit,'(a5,i5,1x,a1,i2,1x,a3,i7,2x,a3,i7,i3)') + write (iunit,'(a5,i5,1x,a1,i2,1x,a3,i7,2x,a3,i7,i3,t76,i5)') & 'HELIX',j,'H',j, & restyp(iti),hfrag(1,j)-1, & restyp(itj),hfrag(2,j)-1,1,hfrag(2,j)-hfrag(1,j) @@ -210,6 +210,7 @@ c------------------------------------------------------------------------ include 'COMMON.INTERACT' include 'COMMON.NAMES' include 'COMMON.GEO' + include 'COMMON.TORSION' write (iout,'(/a)') 'Geometry of the virtual chain.' write (iout,'(7a)') ' Res ',' d',' Theta', & ' Phi',' Dsc',' Alpha',' Omega'