X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-SAXS-homology%2Fsc_move.F;h=f3535897162b2932de54df8756451544bf1bfcea;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=c552ee06068b36564aa2c6568b1040f3fad88897;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git 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 --- 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)) + if (itypi.eq.ntyp1) cycle 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 (itypj.eq.ntyp1) cycle dscj_inv=dsc_inv(itypj) sig0ij=sigma(itypi,itypj) chi1=chi(itypi,itypj)