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Revert "Merge branch 'adasko' into devel"
[unres.git]
/
source
/
unres
/
src_MD
/
MD_A-MTS.F
diff --git
a/source/unres/src_MD/MD_A-MTS.F
b/source/unres/src_MD/MD_A-MTS.F
index
29e4fcb
..
acbffa9
100644
(file)
--- a/
source/unres/src_MD/MD_A-MTS.F
+++ b/
source/unres/src_MD/MD_A-MTS.F
@@
-1806,6
+1806,7
@@
c rest2name = prefix(:ilen(prefix))//'.rst'
write (iout,'(i3,3f10.5,3x,3f10.5)') i,(d_t(j,i),j=1,3),
& (d_t(j,i+nres),j=1,3)
enddo
write (iout,'(i3,3f10.5,3x,3f10.5)') i,(d_t(j,i),j=1,3),
& (d_t(j,i+nres),j=1,3)
enddo
+ call flush(iout)
c Zeroing the total angular momentum of the system
write(iout,*) "Calling the zero-angular
& momentum subroutine"
c Zeroing the total angular momentum of the system
write(iout,*) "Calling the zero-angular
& momentum subroutine"
@@
-1823,6
+1824,7
@@
c Removing the velocity of the center of mass
if(me.eq.king.or..not.out1file)then
write (iout,*) "vcm right after adjustment:"
write (iout,*) (vcm(j),j=1,3)
if(me.eq.king.or..not.out1file)then
write (iout,*) "vcm right after adjustment:"
write (iout,*) (vcm(j),j=1,3)
+ call flush(iout)
endif
if (.not.rest) then
call chainbuild
endif
if (.not.rest) then
call chainbuild
@@
-2078,6
+2080,7
@@
c write (iout,*) "i",i," ii",ii," geigen",geigen(i),
c & " d_t_work_new",d_t_work_new(ii)
enddo
enddo
c & " d_t_work_new",d_t_work_new(ii)
enddo
enddo
+ call flush(iout)
c diagnostics
c Ek1=0.0d0
c ii=0
c diagnostics
c Ek1=0.0d0
c ii=0
@@
-2116,6
+2119,7
@@
c Transfer to the d_t vector
c do i=0,nres-1
c write (iout,*) "d_t",i,(d_t(j,i),j=1,3)
c enddo
c do i=0,nres-1
c write (iout,*) "d_t",i,(d_t(j,i),j=1,3)
c enddo
+c call flush(iout)
do i=nnt,nct
if (itype(i).ne.10) then
do j=1,3
do i=nnt,nct
if (itype(i).ne.10) then
do j=1,3