X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=b861fdb35f4c3c32af71ecb9cf79ede974399055;hb=2e911abfe2c1ce5158812980b541e71d88ac6f6c;hp=332a2f7dde18e0a9dccbe1394e7d83ad12585433;hpb=29858260fdd1ede4a6a430ee7883f998abaac045;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index 332a2f7..b861fdb 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -940,8 +940,8 @@ C 10/03/12 Adam: Recalculate coordinates with new side chain positions call chainbuild endif C Following 2 lines for diagnostics; comment out if not needed - write (iout,*) "After sideadd" - call intout +c write (iout,*) "After sideadd" +c call intout endif if (indpdb.eq.0) then C Read sequence if not taken from the pdb file. @@ -1357,7 +1357,8 @@ C Check whether the specified bridging residues are cystines. C Read preformed bridges. if (ns.gt.0) then read (inp,*) nss,(ihpb(i),jhpb(i),i=1,nss) - write (iout,*) 'nss=',nss,' ihpb,jhpb: ',(ihpb(i),jhpb(i),i=1,nss) + if(fg_rank.eq.0) + & write(iout,*)'nss=',nss,' ihpb,jhpb: ',(ihpb(i),jhpb(i),i=1,nss) if (nss.gt.0) then nhpb=nss C Check if the residues involved in bridges are in the specified list of @@ -2485,7 +2486,7 @@ c write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i) if (wfrag_(i).gt.0.0d0) then do j=ifrag_(1,i),ifrag_(2,i)-1 do k=j+1,ifrag_(2,i) - write (iout,*) "j",j," k",k +c write (iout,*) "j",j," k",k ddjk=dist(j,k) if (constr_dist.eq.1) then nhpb=nhpb+1