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unres src_MD-M from branch Multichain
[unres.git]
/
source
/
unres
/
src_MD
/
convert.f
diff --git
a/source/unres/src_MD/convert.f
b/source/unres/src_MD/convert.f
index
dc0cccd
..
9cb5741
100644
(file)
--- a/
source/unres/src_MD/convert.f
+++ b/
source/unres/src_MD/convert.f
@@
-15,7
+15,8
@@
C
include 'COMMON.GEO'
include 'COMMON.CHAIN'
double precision x(n)
include 'COMMON.GEO'
include 'COMMON.CHAIN'
double precision x(n)
-cd print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar
+c print *,'nres',nres,' nphi',nphi,' ntheta',ntheta,' nvar',nvar
+c print *,"n",n
do i=4,nres
x(i-3)=phi(i)
cd print *,i,i-3,phi(i)
do i=4,nres
x(i-3)=phi(i)
cd print *,i,i-3,phi(i)
@@
-28,9
+29,9
@@
cd print *,i,i-2+nphi,theta(i)
if (n.eq.nphi+ntheta) return
do i=2,nres-1
if (ialph(i,1).gt.0) then
if (n.eq.nphi+ntheta) return
do i=2,nres-1
if (ialph(i,1).gt.0) then
+c print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i)
x(ialph(i,1))=alph(i)
x(ialph(i,1)+nside)=omeg(i)
x(ialph(i,1))=alph(i)
x(ialph(i,1)+nside)=omeg(i)
-cd print *,i,ialph(i,1),ialph(i,1)+nside,alph(i),omeg(i)
endif
enddo
return
endif
enddo
return