X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=f5084cedadc42d527e507cfdc34f23e24868f0ff;hb=c12d63759a6170bb02440ae6905db6c0b2a43237;hp=183a91715a4e8249b57392d7aa14fedc906c9a1f;hpb=c7a96454a5265471d175bbe066071ac41c8b55c3;p=unres.git diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index 183a917..f5084ce 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -394,7 +394,7 @@ C enddo call flush(iout) endif - write (2,*) "Start reading THETA_PDB",ithep_pdb +c write (2,*) "Start reading THETA_PDB",ithep_pdb do i=1,ntyp c write (2,*) 'i=',i read (ithep_pdb,*,err=111,end=111) @@ -439,7 +439,7 @@ c write (2,*) 'i=',i gthet(j,i)=gthet(j,-i) enddo enddo - write (2,*) "End reading THETA_PDB" +c write (2,*) "End reading THETA_PDB" close (ithep_pdb) #endif close(ithep) @@ -547,7 +547,7 @@ C C Read the parameters of the probability distribution/energy expression C of the side chains. C - write (2,*) "Start reading ROTAM_PDB" +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 @@ -586,7 +586,7 @@ C endif enddo close (irotam_pdb) - write (2,*) "End reading ROTAM_PDB" +c write (2,*) "End reading ROTAM_PDB" #endif close(irotam) @@ -625,7 +625,7 @@ C do i=-ntyp,-1 itortyp(i)=-itortyp(-i) enddo - write (iout,*) 'ntortyp',ntortyp +c write (iout,*) 'ntortyp',ntortyp do i=0,ntortyp-1 do j=-ntortyp+1,ntortyp-1 read (itorp,*,end=113,err=113) nterm(i,j,iblock), @@ -1005,8 +1005,6 @@ c Dtilde(2,2,i)=0.0d0 EEold(2,2,-i)=-b(10,i)+b(11,i) EEold(2,1,-i)=-b(12,i)+b(13,i) EEold(1,2,-i)=-b(12,i)-b(13,i) - write(iout,*) "TU DOCHODZE" - print *,"JESTEM" c ee(1,1,i)=1.0d0 c ee(2,2,i)=1.0d0 c ee(2,1,i)=0.0d0 @@ -1122,7 +1120,7 @@ C do j=1,ntyp C epslip(i,j)=epslip(i,j)+0.05d0 C enddo enddo - write(iout,*) epslip(1,1),"OK?" +c write(iout,*) epslip(1,1),"OK?" C For the GB potential convert sigma'**2 into chi' if (ipot.eq.4) then do i=1,ntyp