X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Freadrtns.F;h=431392b0ced1fe0399b255478aa1b2e73342541a;hb=94ad5ffafd322d8c99ac9204c10efa01746ea973;hp=19d4b20de24b6bd793db5545328eb2cdfa5da189;hpb=90a47ba2f9ea5c266c59b225f8505a81d75420d7;p=unres.git diff --git a/source/wham/src/readrtns.F b/source/wham/src/readrtns.F index 19d4b20..431392b 100644 --- a/source/wham/src/readrtns.F +++ b/source/wham/src/readrtns.F @@ -96,6 +96,7 @@ call readi(controlcard,'CONSTR_HOMOL',constr_homology,0) write (iout,*) "with_homology_constr ",with_dihed_constr, & " CONSTR_HOMOLOGY",constr_homology + read_homol_frag = index(controlcard,"READ_HOMOL_FRAG").gt.0 refstr = index(controlcard,'REFSTR').gt.0 pdbref = index(controlcard,'PDBREF').gt.0 dyn_ss=(index(controlcard,'DYN_SS').gt.0) @@ -194,6 +195,15 @@ C call flush(iout) enddo + write (iout,*) "HOMOL_NSET",homol_nset + if (homol_nset.gt.1) then + write (iout,*) "HOMOL_NSET: nT_h",nT_h(iparm) + do ib=1,nT_h(iparm) + nR(ib,iparm)=homol_nset + write (iout,*) "iparm",iparm," ib",ib," nR",nR(ib,iparm) + enddo + endif + enddo if (hamil_rep) then @@ -243,7 +253,7 @@ c----------------------------------------------------------------------------- include "COMMON.NAMES" include "COMMON.FREE" include "COMMON.OBCINKA" - character*64 nazwa + character*128 nazwa character*16000 controlcard integer i,ii,ib,iR,iparm,ilen,iroof,nthr,npars external ilen,iroof @@ -346,7 +356,7 @@ c------------------------------------------------------------------------------- include "COMMON.PROTFILES" include "COMMON.PROT" include "COMMON.FREE" - character*64 bprotfile_temp + character*128 bprotfile_temp character*3 liczba,liczba2 character*2 liczba1 integer iunit,islice @@ -406,7 +416,8 @@ c------------------------------------------------------------------------------- include "COMMON.SBRIDGE" include "COMMON.OBCINKA" real*4 csingle(3,maxres2) - character*64 nazwa,bprotfile_temp + character*64 nazwa + character*128 bprotfile_temp character*3 liczba character*2 liczba1 integer i,j,ii,jj(maxslice),k,kk(maxslice),l,