X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=6ea0840083de0b6717d92ce3c5bf7edc9b85af9a;hb=4f408e0046bb5dad39727ced2f2fec1e5a5fab88;hp=154fcf473db22952633ceaf14d5e62ba06cdfa4d;hpb=3e2116f1c3c9f9db1f8f34ea327e064df9345d67;p=unres.git diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index 154fcf4..6ea0840 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -388,13 +388,15 @@ C enddo call flush(iout) endif - write (2,*) "Start reading THETA_PDB" + write (2,*) "Start reading THETA_PDB",ithep_pdb do i=1,ntyp - read (ithep,*,err=111,end=111) a0thet(i),(athet(j,i,1,1),j=1,2), +c write (2,*) 'i=',i + 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 @@ -539,6 +541,7 @@ 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 @@ -577,6 +580,7 @@ C endif enddo close (irotam_pdb) + write (2,*) "End reading ROTAM_PDB" #endif close(irotam)