X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2Fparmread.F;h=4f5ae043643a68c3c960e440965143e655017c9c;hb=7baaf36efbc265e029ec93a4bb1adfadfd55d7bf;hp=87be54f57237ad4498092bc12c941f1a160f2c3c;hpb=23c53ef4bfe4b994173cbbb61ecb859e829b4d48;p=unres.git diff --git a/source/wham/src-M/parmread.F b/source/wham/src-M/parmread.F index 87be54f..4f5ae04 100644 --- a/source/wham/src-M/parmread.F +++ b/source/wham/src-M/parmread.F @@ -70,6 +70,11 @@ c If reading not own parameters, skip assignment call reada(controlcard,"BTRISS",btriss,0.02D0) call reada(controlcard,"CTRISS",ctriss,1.0D0) dyn_ss=(index(controlcard,'DYN_SS').gt.0) + write(iout,*) "ATRISS",atriss + write(iout,*) "BTRISS",btriss + write(iout,*) "CTRISS",ctriss + write(iout,*) "DTRISS",dtriss + C do i=1,maxres C dyn_ss_mask(i)=.false. C enddo @@ -136,6 +141,7 @@ c wbond=ww(18) wsccor=ww(19) whpb=ww(15) + wstrain=ww(15) endif call card_concat(controlcard,.false.) @@ -389,7 +395,7 @@ C enddo enddo enddo - write (iout,*) "KURWA1" +C write (iout,*) "KURWA1" do iblock=1,2 do i=0,nthetyp do j=-nthetyp,nthetyp @@ -413,7 +419,7 @@ C enddo enddo enddo - write(iout,*) "KURWA1.1" +C write(iout,*) "KURWA1.1" C C For dummy ends assign glycine-type coefficients of theta-only terms; the C coefficients of theta-and-gamma-dependent terms are zero. @@ -433,7 +439,7 @@ C aa0thet(nthetyp+1,i,nthetyp+1,iblock)=0.0d0 enddo enddo - write(iout,*) "KURWA1.5" +C write(iout,*) "KURWA1.5" C Substitution for D aminoacids from symmetry. do iblock=1,2 do i=-nthetyp,0 @@ -512,7 +518,7 @@ C call flush(iout) endif #endif - write(iout,*) 'KURWA2' +C write(iout,*) 'KURWA2' #ifdef CRYST_SC C C Read the parameters of the probability distribution/energy expression @@ -620,7 +626,7 @@ C enddo #endif close(irotam) - write (iout,*) 'KURWAKURWA' +C write (iout,*) 'KURWAKURWA' #ifdef CRYST_TOR C C Read torsional parameters in old format @@ -1274,7 +1280,7 @@ C V3SS = 13.7d0 write (iout,*) dyn_ss,'dyndyn' if (dyn_ss) then ss_depth=ebr/wsc-0.25*eps(1,1) - write(iout,*) akcm,whpb,wsc,'KURWA' +C write(iout,*) akcm,whpb,wsc,'KURWA' Ht=Ht/wsc-0.25*eps(1,1) akcm=akcm*whpb/wsc