X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Ffragments%2Fsuppdb_ca_dis.f;h=3ea7a02ac9c89e1ada134f71ae1026c13f424012;hb=b53833b8c1e2f00de0d8ede0008b67cbe0b4d776;hp=50b09cef157af830b9d5b2b4070559abd93f10a6;hpb=173eeeffac1b4b8fb8a368ddd432df8a038fc980;p=unres.git diff --git a/source/fragments/suppdb_ca_dis.f b/source/fragments/suppdb_ca_dis.f index 50b09ce..3ea7a02 100644 --- a/source/fragments/suppdb_ca_dis.f +++ b/source/fragments/suppdb_ca_dis.f @@ -143,7 +143,7 @@ & rms(i,imax(i)), ! rms(i,imax(i))/sqrt(float(i)), & rmsave ! ,rmsave/sqrt(float(i)) enddo - rmscut=4.0d0 + rmscut=7.0d0 rmscut1=1.0d0*rmscut do i4=nsup,4,-1 if (rms(i4,imin(i4)).le.rmscut) exit @@ -332,7 +332,7 @@ c if (dsqrt(sumdiff/dfloat(i)).lt.rmscut1) then ENDDO - write (2,'(5000i1)') (frag(i),i=1,resnum2-resnum1+1) + write (2,'(5000i2)') (frag(i),i=1,resnum2-resnum1+1) stop 777 111 print '(2a)','Error opening input file ',fnam1(:len_trim(fnam1)) stop 111