update

[unres.git] / source / unres / src_MD-M-SAXS-homology / gen_rand_conf.F

diff --git a/source/unres/src_MD-M-SAXS-homology/gen_rand_conf.F b/source/unres/src_MD-M-SAXS-homology/gen_rand_conf.F
index cf4c6d2..8f98ffc 100644 (file)
--- a/source/unres/src_MD-M-SAXS-homology/gen_rand_conf.F
+++ b/source/unres/src_MD-M-SAXS-homology/gen_rand_conf.F
@@ -846,6 +846,7 @@ c      print *,'>>overlap_sc nnt=',nnt,' nct=',nct
       do i=iatsc_s,iatsc_e
         itypi=iabs(itype(i))
         itypi1=iabs(itype(i+1))
+        if (itypi.eq.ntyp1) cycle
         xi=c(1,nres+i)
         yi=c(2,nres+i)
         zi=c(3,nres+i)
@@ -858,6 +859,8 @@ c
          do j=istart(i,iint),iend(i,iint)
             ind=ind+1
             itypj=iabs(itype(j))
+            if (itypj.eq.ntyp1) cycle
+c            write (iout,*) "i,j",i,j," itypi,itypj",itypi,itypj
             dscj_inv=dsc_inv(itypj)
             sig0ij=sigma(itypi,itypj)
             chi1=chi(itypi,itypj)