X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Freadrtns_csa.F;h=4511d337bbf7363ebd58d57a6be5861e46a668d2;hb=81513f4efcd95dcfc5d3ec05ce6396a392d8ac24;hp=b910bfa11b5b01df08881c1af9854ef836e62a13;hpb=59403741e5c6541c3617c08c6e8e0c11ec394cce;p=unres.git diff --git a/source/unres/src_CSA_DiL/readrtns_csa.F b/source/unres/src_CSA_DiL/readrtns_csa.F index b910bfa..4511d33 100644 --- a/source/unres/src_CSA_DiL/readrtns_csa.F +++ b/source/unres/src_CSA_DiL/readrtns_csa.F @@ -493,8 +493,8 @@ C Assign initial virtual bond lengths vbld_inv(i)=vblinv enddo do i=2,nres-1 - vbld(i+nres)=dsc(itype(i)) - vbld_inv(i+nres)=dsc_inv(itype(i)) + vbld(i+nres)=dsc(iabs(itype(i))) + vbld_inv(i+nres)=dsc_inv(iabs(itype(i))) c write (iout,*) "i",i," itype",itype(i), c & " dsc",dsc(itype(i))," vbld",vbld(i),vbld(i+nres) enddo @@ -730,6 +730,7 @@ C initial geometry. enddo do i=2,nres-1 omeg(i)=-120d0*deg2rad + if (itype(i).le.0) omeg(i)=-omeg(i) enddo else if(me.eq.king.or..not.out1file)