C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 2 3 3438
+C 2 3 3452
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 2.3 build 3438'
- write(iout,*)'compiled Thu Oct 4 09:08:03 2012'
+ write(iout,*)'Version 2.3 build 3452'
+ write(iout,*)'compiled Thu Oct 4 13:46:14 2012'
write(iout,*)'compiled by aks255@matrix.chem.cornell.edu'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
write(iout,*)' -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORP...'
write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
write(iout,*)'FC= ifort'
- write(iout,*)'OPT = -g -CB'
+ write(iout,*)'OPT = -O3 -ip -w'
write(iout,*)'CFLAGS = -DSGI -c'
write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include'
write(iout,*)'FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...'
lprn=.false.
c lprn=.true.
etors_d=0.0D0
+c write(iout,*) "a tu??"
do i=iphid_start,iphid_end
if (itype(i-2).eq.ntyp1 .or. itype(i-1).eq.ntyp1
& .or. itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) cycle
include 'COMMON.INTERACT'
include 'COMMON.NAMES'
include 'COMMON.GEO'
+ include 'COMMON.TORSION'
write (iout,'(/a)') 'Geometry of the virtual chain.'
write (iout,'(7a)') ' Res ',' d',' Theta',
& ' Phi',' Dsc',' Alpha',' Omega'
do i=-ntyp,-1
itortyp(i)=-itortyp(-i)
enddo
-c write (iout,*) 'ntortyp',ntortyp
+ write (iout,*) 'ntortyp',ntortyp
do i=0,ntortyp-1
do j=-ntortyp+1,ntortyp-1
read (itorp,*,end=113,err=113) nterm(i,j,iblock),