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MULTCONF is working now
[unres.git]
/
source
/
unres
/
src_MD
/
local_move.f
diff --git
a/source/unres/src_MD/local_move.f
b/source/unres/src_MD/local_move.f
index
d02a9d1
..
7a7e125
100644
(file)
--- a/
source/unres/src_MD/local_move.f
+++ b/
source/unres/src_MD/local_move.f
@@
-129,7
+129,7
@@
c$$$ endif
c$$$ endif
c The actual move, on residue i
c$$$ endif
c The actual move, on residue i
- iretcode=move_res(min,max,i,c) ! Discard iretcode
+ iretcode=move_res(min,max,i) ! Discard iretcode
i=i+1
if (i.le.j) then
i=i+1
if (i.le.j) then
@@
-150,7
+150,7
@@
c$$$ endif
c$$$ endif
c The actual move, on residue j
c$$$ endif
c The actual move, on residue j
- iretcode=move_res(min,max,j,c) ! Discard iretcode
+ iretcode=move_res(min,max,j) ! Discard iretcode
j=j-1
endif
enddo
j=j-1
endif
enddo
@@
-960,7
+960,9
@@
c print *,'NO MOVES FOUND, BEST PHI IS',phi*rad2deg
R(j,i)=vbl*R(j,i)
enddo
enddo
R(j,i)=vbl*R(j,i)
enddo
enddo
- i=move_res(R(0,1),0.D0*deg2rad,180.D0*deg2rad)
+c i=move_res(R(0,1),0.D0*deg2rad,180.D0*deg2rad)
+ imov=nnt
+ i=move_res(0.D0*deg2rad,180.D0*deg2rad,imov)
print *,'RETURNED ',i
print *,(R(i,3)/vbl,i=0,2)
print *,'RETURNED ',i
print *,(R(i,3)/vbl,i=0,2)