!************************************************************************ ! 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 getf here] subroutine getf(nat,igrp,f) real*8 f ! ----- ROUTINE TO EXTRACT THE FORCES OF VARYING ! ATOMS FOR THE MINIMISER ----- dimension igrp(*),f(*) j3 = 0 do 10 i = 1,nat if(igrp(i) > 0) then i3 = 3*i-3 f(j3+1) = f(i3+1) f(j3+2) = f(i3+2) f(j3+3) = f(i3+3) j3 = j3+3 end if 10 continue return end subroutine getf