X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fparmread.F;h=7550fd58b37d3c8bda754b010abba1d9bb7921b9;hb=041d784829a503b7d6fb6de2bf7249685132274b;hp=4da291392e92e60c6224aad35f136503f4ae5ed8;hpb=60f96b7e80a20922d99bac9b854cf106b25b042c;p=unres.git diff --git a/source/unres/src-HCD-5D/parmread.F b/source/unres/src-HCD-5D/parmread.F index 4da2913..7550fd5 100644 --- a/source/unres/src-HCD-5D/parmread.F +++ b/source/unres/src-HCD-5D/parmread.F @@ -69,6 +69,7 @@ C setenv LATEX YES C call getenv_loc("PRINT_PARM",lancuch) lprint = (ucase(lancuch).eq."YES" .or. ucase(lancuch).eq."Y") + & .and. (me.eq.king.or..not.out1file) .and. fg_rank.eq.0 call getenv_loc("LATEX",lancuch) LaTeX = (ucase(lancuch).eq."YES" .or. ucase(lancuch).eq."Y") C @@ -121,6 +122,7 @@ c & vbldsc0(j,i),aksc(j,i),abond0(j,i) enddo enddo + call flush(iout) endif C reading lipid parameters if (lprint) then @@ -132,6 +134,13 @@ C reading lipid parameters read(iliptranpar,*) liptranene(i) enddo close(iliptranpar) + if (lprint) then + write (iout,'(/a)') "Water-lipid transfer parameters" + write (iout,'(a3,3x,f10.5)') 'p',pepliptran + do i=1,ntyp + write (iout,'(a3,3x,f10.5)') restyp(i),liptranene(i) + enddo + endif #ifdef CRYST_THETA C C Read the parameters of the probability distribution/energy expression @@ -1452,7 +1461,7 @@ cc maxinter is maximum interaction sites #endif if (lprint) then - write (iout,'(/a/)') 'Torsional constants:' + write (iout,'(/a/)') 'SCCor torsional constants:' do l=1,maxinter do i=1,nsccortyp do j=1,nsccortyp @@ -1469,6 +1478,7 @@ cc maxinter is maximum interaction sites enddo enddo enddo + call flush(iout) endif C @@ -1951,6 +1961,7 @@ c call reada(weightcard,'WDFAB',wdfa_beta,0.0d0) call reada(weightcard,'SCAL14',scal14,0.4D0) call reada(weightcard,'SCALSCP',scalscp,1.0d0) + call reada(weightcard,'LIPSCALE',lipscale,1.0D0) call reada(weightcard,'CUTOFF',cutoff_corr,7.0d0) call reada(weightcard,'DELT_CORR',delt_corr,0.5d0) call reada(weightcard,'TEMP0',temp0,300.0d0)