X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fgeomout.F;h=35f3d77faef5a562828137b45418ca724fbed068;hb=aa037b39c46474f358b050551261d7c5ac3d2357;hp=9506eed34248b95aeedecd8dacad7e91f65858ee;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/wham/src/geomout.F b/source/wham/src/geomout.F index 9506eed..35f3d77 100644 --- a/source/wham/src/geomout.F +++ b/source/wham/src/geomout.F @@ -40,7 +40,11 @@ write (ipdb,30) ica(nct),ica(nct)+1 endif do i=1,nss +c if(dyn_ss) then +c write (ipdb,30) ica(idssb(i))+1,ica(jdssb(i))+1 +c else write (ipdb,30) ica(ihpb(i))+1,ica(jhpb(i))+1 +c endif enddo 10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3) 20 FORMAT ('ATOM',I7,' CB ',A3,I6,4X,3F8.3)