This commit is contained in:
Tjerk Straatsma 2000-04-28 18:02:50 +00:00
parent b8be86bee7
commit 965bab0aec
2 changed files with 6 additions and 4 deletions

View file

@ -1,6 +1,6 @@
subroutine ana_task
c
c $Id: ana_task.F,v 1.20 2000-04-27 16:11:25 d3j191 Exp $
c $Id: ana_task.F,v 1.21 2000-04-28 18:02:50 d3j191 Exp $
c
implicit none
c
@ -348,7 +348,7 @@ c
if(ana_rdfram(dbl_mb(i_xdat),int_mb(i_idat),dbl_mb(i_wdat))) then
nread=nread+1
if(nread.lt.ifrfr) goto 3
if(nframe.eq.(nframe/ifrsk)*ifrsk) then
if(nframe.eq.(nframe/ifrsk)*ifrsk.and.lsx) then
call super(dbl_mb(i_xdat+ifr-1),int_mb(i_idat+ifr-1),num,msa,
+ dbl_mb(i_xref),dbl_mb(i_wt),dbl_mb(i_xrms),nsa,msa,.true.,
+ rms0,rms1)
@ -364,7 +364,7 @@ c
write(*,'(a)') ' Closing trj file '
close(unit=lfnsup)
write(*,'(/,a,i10,a,a)') ' Superimposed ',nwrit,' frames to ',
+ filcop(1:index(filcop,' ')-1)
+ filsup(1:index(filsup,' ')-1)
lsonly=.false.
endif
c

View file

@ -1,6 +1,6 @@
subroutine ana_wtfram(iunit,fmt,x,sgmnam,w,isel)
c
c $Id: ana_wtfram.F,v 1.9 2000-04-27 16:11:25 d3j191 Exp $
c $Id: ana_wtfram.F,v 1.10 2000-04-28 18:02:50 d3j191 Exp $
c
implicit none
c
@ -164,6 +164,7 @@ c
endif
c
if(fmt.eq.'frm') then
if(lsx) then
write(iunit,7001)
7001 format(/,'Geometry {')
do 9 i=1,nsa
@ -173,6 +174,7 @@ c
write(iunit,7003)
7003 format('}')
endif
endif
c
endif
c