X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fconvert.f;h=9cb5741db94a592be0d70eeb0255863144982e5e;hb=c7a96454a5265471d175bbe066071ac41c8b55c3;hp=dc0cccd7c8eef0694042ad50413c05d1229378a6;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/convert.f b/source/unres/src_MD/convert.f index dc0cccd..9cb5741 100644 --- a/source/unres/src_MD/convert.f +++ b/source/unres/src_MD/convert.f @@ -15,7 +15,8 @@ C include 'COMMON.GEO' include 'COMMON.CHAIN' double precision x(n) -cd print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar +c print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar +c print *,"n",n do i=4,nres x(i-3)=phi(i) cd print *,i,i-3,phi(i) @@ -28,9 +29,9 @@ cd print *,i,i-2+nphi,theta(i) if (n.eq.nphi+ntheta) return do i=2,nres-1 if (ialph(i,1).gt.0) then +c print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i) x(ialph(i,1))=alph(i) x(ialph(i,1)+nside)=omeg(i) -cd print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i) endif enddo return