!************************************************************************ ! AMBER ** ! ** ! Copyright (c) 1986, 1991, 1995 ** ! Regents of the University of California ** ! All Rights Reserved. ** ! ** ! This software provided pursuant to a license agreement containing ** ! restrictions on its disclosure, duplication, and use. This software ** ! contains confidential and proprietary information, and may not be ** ! extracted or distributed, in whole or in part, for any purpose ** ! whatsoever, without the express written permission of the authors. ** ! This notice, and the associated author list, must be attached to ** ! all copies, or extracts, of this software. Any additional ** ! restrictions set forth in the license agreement also apply to this ** ! software. ** !************************************************************************ !+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ !+ [Enter a one-line description of subroutine setgr here] subroutine setgr (natom, natc, nres, ngroup, & ibelly, natsys, igres, igroup, & ipres, lbres, igraph, isymbl, & itree, icons, igrp2, wref, & xref) character(len=4) lbres, igraph, isymbl, itree dimension igres(*), igroup(*), ipres(*), lbres(*), & igraph(*), isymbl(*), itree(*), igrp2(*), & wref(*), xref(*) if(ibelly /= 0) then call rgroup (natom, natc, nres, ngroup, & ipres, lbres, igraph, isymbl, & itree, igroup, dummy, dummy, .false., .true., 5) else do 10 i = 1, natom igroup(i) = 1 10 continue end if ! ----- FIND THE TOTAL NUMBER OF ACTIVE ATOMS AND RESIDUES ----- call setatm(natom,nres,natsys,ipres,igroup,igres) if (icons /= 0) then call rgroup (natom, natc, nres, ngroup, & ipres, lbres, igraph, isymbl, & itree, igrp2, wref, xref, .true., .false., 5) end if return end subroutine setgr