********>Bugfix 5: Author: Holger Gohlke Date: 4/18/02 Programs: make_crd_hg Severity: minor Description: For certain LSTART/LSTOP, RSTART/RSTOP combinations make_crd_hg exits with "Something wrong with NGR ..." error Fix: apply the following patch to amber7/src/mm_pbsa/make_crd_hg.f ------------------------------------------------------------------------------ *** make_crd_hg.f Wed Jan 16 15:56:23 2002 --- make_crd_hg.f Thu Apr 18 08:49:28 2002 *************** *** 528,535 **** NGL=0 NGC=0 do i=1,NGREC+NGLIG ! if(((NGREC.gt.0).and.(RSTART(j).lt.LSTART(k))).or. ! 1 (k.gt.NGLIG)) then do l=RSTART(j),RSTOP(j) if(x(l).lt.big) then NGR=NGR+1 --- 528,535 ---- NGL=0 NGC=0 do i=1,NGREC+NGLIG ! if(((NGREC.gt.0).and.(NGREC.ge.j).and. ! 1 (RSTART(j).lt.LSTART(k))).or.(k.gt.NGLIG)) then do l=RSTART(j),RSTOP(j) if(x(l).lt.big) then NGR=NGR+1 *************** *** 545,552 **** endif end do j=j+1 ! elseif(((NGLIG.gt.0).and.(LSTART(k).lt.RSTART(j))).or. ! 1 (j.gt.NGREC)) then do l=LSTART(k),LSTOP(k) if(x(l).lt.big) then NGL=NGL+1 --- 545,552 ---- endif end do j=j+1 ! elseif(((NGLIG.gt.0).and.(NGLIG.ge.k).and. ! 1 (LSTART(k).lt.RSTART(j))).or.(j.gt.NGREC)) then do l=LSTART(k),LSTOP(k) if(x(l).lt.big) then NGL=NGL+1 ------------------------------------------------------------------------------ Temporary workarounds: none Files affected: amber7/src/mm_pbsa/make_crd_hg.f