Hi,
I found readit.f on amber web site and copied pasted it but when I try to
run it I got
syntax error near unexpected token `('
How can i fix it?
here is readit.f that I pasted:
C***********************************************************************
C #
C Copyright (c) 1986, 1991, 1995 #
C Regents of the University of California #
C #
C All Rights Reserved #
C #
C Permission to use, copy, modify, and distribute this software and #
C its documentation for any purpose and without fee is hereby #
C granted, provided that the above copyright notice appear in all #
C copies and that both that copyright notice and this permission #
C notice appear in supporting documentation, and that the name of #
C the University of California not be used in advertising or #
C publicity pertaining to distribution of the software without #
C specific, written prior permission. #
C #
C THE REGENTS OF THE UNIVERSITY OF CALIFORNIA DISCLAIM ALL #
C WARRANTIES WITH REGARD TO THIS SOFTWARE, INCLUDING ALL IMPLIED #
C WARRANTIES OF MERCHANTABILITY AND FITNESS, IN NO EVENT SHALL THE #
C UNIVERSITY OF CALIFORNIA BE LIABLE FOR ANY SPECIAL, INDIRECT OR #
C CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM #
C LOSS OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, #
C NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN #
C CONNECTION WITH THE USE OR PERFORMANCE OF THIS SOFTWARE. #
C #
C***********************************************************************
C
implicit double precision (a-h,o-z)
c
c routine to output "esp.dat" files of coordinates
c and electrostatic potential values for use in
c "RESP". Output values are in atomic units (the
c default for resp).
c
c version 1.0
c james caldwell-ucsf February,1996
c
open(unit=7,file="a",status="old",form="formatted")
open(unit=8,file="b",status="old",form="formatted")
open(unit=9,file="c",status="old",form="formatted")
open(unit=10,file="esp.dat",status="new",form="formatted")
unit=0.529177249d0
write(6,'(t2,''enter natom,nesp: '',$)')
read (5,*)i,j
write(6,'(''# atoms: '',i5,'' # esp: ''i5)')i,j
write(10,'(2i5)')i,j
do jn = 1,i
read ( 7,'(32x,3f10.0)')a,b,c
write(10,'(16x,3e16.6)')a/unit,b/unit,c/unit
enddo
do jn = 1,j
read ( 8,'(32x3f10.0)')a,b,c
read ( 9,'(14x,f10.0)')esp
write(10,'(4e16.6)')esp,a/unit,b/unit,c/unit
enddo
rewind(7)
rewind(8)
rewind(9)
rewind(10)
call exit
end
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Received on Sat Mar 03 2018 - 15:00:03 PST
