X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fgeomout.F;h=d1a3a87a5bc0a1bf46a91fe210ac852d247659cf;hb=5aac27f7c6317fa0975184363614b42716034716;hp=b0156a18f72e7d35ef95cd39abad2c534a8687c9;hpb=48ae9e01d2dd6571fa2cca6c704dc04f86e5fd7b;p=unres.git diff --git a/source/unres/src-HCD-5D/geomout.F b/source/unres/src-HCD-5D/geomout.F index b0156a1..d1a3a87 100644 --- a/source/unres/src-HCD-5D/geomout.F +++ b/source/unres/src-HCD-5D/geomout.F @@ -7,7 +7,7 @@ include 'COMMON.IOUNITS' include 'COMMON.HEADER' include 'COMMON.SBRIDGE' - include 'COMMON.DISTFIT' + include 'COMMON.FRAG' include 'COMMON.MD' #ifdef FIVEDIAG include 'COMMON.LAGRANGE.5diag' @@ -224,11 +224,11 @@ c------------------------------------------------------------------------ include 'COMMON.TORSION' integer i,iti write (iout,'(/a)') 'Geometry of the virtual chain.' - write (iout,'(7a)') ' Res ',' d',' Theta', + write (iout,'(7a)') ' Res ',' d',' Theta', & ' Phi',' Dsc',' Alpha',' Omega' do i=1,nres iti=itype(i) - write (iout,'(a3,i4,6f10.3)') restyp(iti),i,vbld(i), + write (iout,'(a3,i5,6f10.3)') restyp(iti),i,vbld(i), & rad2deg*theta(i),rad2deg*phi(i),vbld(nres+i),rad2deg*alph(i), & rad2deg*omeg(i) enddo @@ -293,7 +293,7 @@ c---------------------------------------------------------------- include 'COMMON.IOUNITS' include 'COMMON.HEADER' include 'COMMON.SBRIDGE' - include 'COMMON.DISTFIT' + include 'COMMON.FRAG' include 'COMMON.MD' include 'COMMON.QRESTR' integer i,j,k @@ -337,7 +337,7 @@ c----------------------------------------------------------------- include 'COMMON.IOUNITS' include 'COMMON.HEADER' include 'COMMON.SBRIDGE' - include 'COMMON.DISTFIT' + include 'COMMON.FRAG' include 'COMMON.MD' include 'COMMON.QRESTR' double precision time @@ -441,7 +441,7 @@ c----------------------------------------------------------------- include 'COMMON.IOUNITS' include 'COMMON.HEADER' include 'COMMON.SBRIDGE' - include 'COMMON.DISTFIT' + include 'COMMON.FRAG' include 'COMMON.MD' include 'COMMON.QRESTR' include 'COMMON.REMD'