include 'COMMON.SBRIDGE'
print '(a,i5)',intname,igeom
#if defined(AIX) || defined(PGI)
- open (igeom,file=intname,position='append')
+c open (igeom,file=intname,position='append')
#else
- open (igeom,file=intname,access='append')
+c open (igeom,file=intname,access='append')
#endif
iii=igeom
igeom=iout
write (igeom,200) (rad2deg*alph(i),i=2,nres-1)
write (igeom,200) (rad2deg*omeg(i),i=2,nres-1)
c endif
- close(igeom)
+c close(igeom)
180 format (I5,F12.3,I2,9(1X,2I3))
190 format (3X,11(1X,2I3))
200 format (8F10.4)
return
end
+c----------------------------------------------------------------
+ subroutine cartout(i)
+ implicit real*8 (a-h,o-z)
+ include 'DIMENSIONS'
+ include 'DIMENSIONS.ZSCOPT'
+ include 'COMMON.CHAIN'
+ include 'COMMON.INTERACT'
+ include 'COMMON.NAMES'
+ include 'COMMON.IOUNITS'
+ include 'COMMON.HEADER'
+ include 'COMMON.SBRIDGE'
+ double precision time
+#if defined(AIX) || defined(PGI)
+c open(igeom,file=cartname,position="append")
+#else
+c open(igeom,file=cartname,access="append")
+#endif
+ write (igeom,'("Conformation",i10)') i
+ write (igeom,'(i4,$)')
+ & nss,(ihpb(j),jhpb(j),j=1,nss)
+ write(igeom,*)
+ write (igeom,'(8f10.5)')
+ & ((c(k,j),k=1,3),j=1,nres),
+ & ((c(k,j+nres),k=1,3),j=nnt,nct)
+c close(igeom)
+ return
+ end
+