X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fparmread.F;h=074db7c4bb5d8874f481ff998bdd5a5c94b3ec5e;hb=a1174757c39d2d9dc4579febaeb2e7d3d84602a3;hp=68f599a7f038f9274d860a1dbf8454eccdbe4b67;hpb=9256f2d752a446a41f2b74be500b4f6ed1a7416d;p=unres.git diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F index 68f599a..074db7c 100644 --- a/source/unres/src_MD/parmread.F +++ b/source/unres/src_MD/parmread.F @@ -391,11 +391,12 @@ C endif write (2,*) "Start reading THETA_PDB" do i=1,ntyp - read (ithep,*,err=111,end=111) a0thet(i),(athet(j,i,1,1),j=1,2), + read (ithep_pdb,*,err=111,end=111) + & a0thet(i),(athet(j,i,1,1),j=1,2), & (bthet(j,i,1,1),j=1,2) - read (ithep,*,err=111,end=111) (polthet(j,i),j=0,3) - read (ithep,*,err=111,end=111) (gthet(j,i),j=1,3) - read (ithep,*,err=111,end=111) theta0(i),sig0(i),sigc0(i) + read (ithep_pdb,*,err=111,end=111) (polthet(j,i),j=0,3) + read (ithep_pdb,*,err=111,end=111) (gthet(j,i),j=1,3) + read (ithep_pdb,*,err=111,end=111) theta0(i),sig0(i),sigc0(i) sigc0(i)=sigc0(i)**2 enddo do i=1,ntyp @@ -541,6 +542,8 @@ C C Read the parameters of the probability distribution/energy expression C of the side chains. C + write (2,*) "Start reading ROTAM_PDB" + do i=1,ntyp read (irotam_pdb,'(3x,i3,f8.3)',end=112,err=112) nlob(i),dsc(i) if (i.eq.10) then @@ -579,6 +582,7 @@ C endif enddo close (irotam_pdb) + write (2,*) "Ending reading ROTAM_PDB" #endif close(irotam)