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update
[unres.git]
/
source
/
unres
/
src_MD-M-SAXS-homology
/
sc_move.F
diff --git
a/source/unres/src_MD-M-SAXS-homology/sc_move.F
b/source/unres/src_MD-M-SAXS-homology/sc_move.F
index
c552ee0
..
f353589
100644
(file)
--- a/
source/unres/src_MD-M-SAXS-homology/sc_move.F
+++ b/
source/unres/src_MD-M-SAXS-homology/sc_move.F
@@
-720,6
+720,7
@@
c if (icall.eq.0) lprn=.true.
itypi=iabs(itype(i))
itypi=iabs(itype(i))
+ if (itypi.eq.ntyp1) cycle
itypi1=iabs(itype(i+1))
xi=c(1,nres+i)
yi=c(2,nres+i)
itypi1=iabs(itype(i+1))
xi=c(1,nres+i)
yi=c(2,nres+i)
@@
-765,6
+766,7
@@
C
IF (mask_side(j).eq.1.or.mask_side(i).eq.1) THEN
ind=ind+1
itypj=iabs(itype(j))
IF (mask_side(j).eq.1.or.mask_side(i).eq.1) THEN
ind=ind+1
itypj=iabs(itype(j))
+ if (itypj.eq.ntyp1) cycle
dscj_inv=dsc_inv(itypj)
sig0ij=sigma(itypi,itypj)
chi1=chi(itypi,itypj)
dscj_inv=dsc_inv(itypj)
sig0ij=sigma(itypi,itypj)
chi1=chi(itypi,itypj)