X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=source%2Fwham%2Fsrc-HCD%2Freadrtns.F;h=c733c379bb3a934f3fe9d47c775b7b8a9141007e;hb=ae315105cef83bbcab70e2778ef92459690ee784;hp=84a366fc0f5fa5ff43ac87fc52fa849e56692a5a;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git diff --git a/source/wham/src-HCD/readrtns.F b/source/wham/src-HCD/readrtns.F index 84a366f..c733c37 100644 --- a/source/wham/src-HCD/readrtns.F +++ b/source/wham/src-HCD/readrtns.F @@ -93,8 +93,10 @@ call reada(controlcard,'BOXY',boxysize,100.0d0) call reada(controlcard,'BOXZ',boxzsize,100.0d0) c Cutoff range for interactions - call reada(controlcard,"R_CUT",r_cut,15.0d0) + call reada(controlcard,"R_CUT",r_cut,25.0d0) call reada(controlcard,"LAMBDA",rlamb,0.3d0) + write (iout,*) "Cutoff on interactions",r_cut + write (iout,*) "lambda",rlamb call reada(controlcard,"LIPTHICK",lipthick,0.0d0) call reada(controlcard,"LIPAQBUF",lipbufthick,0.0d0) unres_pdb = index(controlcard,'UNRES_PDB') .gt. 0 @@ -410,7 +412,7 @@ c------------------------------------------------------------------------------- include "COMMON.PROTFILES" include "COMMON.PROT" include "COMMON.FREE" - character*64 bprotfile_temp + character*256 bprotfile_temp character*3 liczba,liczba2 character*2 liczba1 integer iunit,islice @@ -470,7 +472,7 @@ c------------------------------------------------------------------------------- include "COMMON.SBRIDGE" include "COMMON.OBCINKA" real*4 csingle(3,maxres2) - character*64 nazwa,bprotfile_temp + character*256 nazwa,bprotfile_temp character*3 liczba character*2 liczba1 integer i,j,ii,jj(maxslice),k,kk(maxslice),l,