X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Fgeomout.F;h=fff3d14d72aff409d9a4a2e6bdf1d64c9456a79d;hb=183fc304cec5bd119a89d2968dce55e13381fe8f;hp=712a3e330a160484a98addbf212630145c519162;hpb=39a705a25da2ddcd1193962717257a216e846552;p=unres.git diff --git a/source/unres/src_MD/geomout.F b/source/unres/src_MD/geomout.F index 712a3e3..fff3d14 100644 --- a/source/unres/src_MD/geomout.F +++ b/source/unres/src_MD/geomout.F @@ -110,7 +110,8 @@ cmodel write (iunit,'(a5,i6)') 'MODEL',1 write (iunit,30) ica(nct),ica(nct)+1 endif do i=1,nss - write (iunit,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1 +c trzeba uporzdkowac +c write (iunit,30) ica(ihpb(i))+1,ica(jhpb(i))+1 enddo write (iunit,'(a6)') 'ENDMDL' 10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3,f15.3)