X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fgeomout.F;h=35f3d77faef5a562828137b45418ca724fbed068;hb=1a9058a1488be00c45f5d96cf77e28420d0a30c4;hp=9506eed34248b95aeedecd8dacad7e91f65858ee;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;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)