!************************************************************************ ! 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 eprnt here] subroutine eprnt(ith,nat,f) ! ----- to print out the potential energies implicit double precision (a-h, o-z) dimension f(*) # include "epot.h" gmax = grdmax(f,rms,3*nat) write(6,5) write(6,10) ith write(6,15) etot,gmax,rms write(6,20) write(6,25) enb,eel,enbh,eb write(6,21) write(6,25) ea,edih,enb14,eel14 write(6,23) write(6,25) epol,e3bod if (econs /= 0.d0) then write(6,22) write(6,25) econs end if call amflsh(6) 5 format(/ /,3(' ***************** ')) 10 format(2x,' step = ',i10) 15 format(5x,'F = ',e14.6,4x,'GRDMAX = ',e12.6,4x,'GNORM = ',e12.6) 20 format(' E-NONB E-ELE ', & ' E-HBOND E-BOND') 21 format(' E-ANGLE E-DIHED ', & ' E-NB14 E-EEL14') 23 format(' E-POL E-3BOD ') 22 format(' CONSTRAINT') 25 format(4(4x,e12.5,4x)) return end subroutine eprnt