X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2Freadrtns.F;h=bca3771dfddfa9681c934941ffd2befbce7da759;hb=323646722ac21fc2b215014807f1cb4abeafa1f6;hp=84a366fc0f5fa5ff43ac87fc52fa849e56692a5a;hpb=020e579626d686ec20ecd9f0cc4c8313f474e152;p=unres.git diff --git a/source/wham/src-HCD-5D/readrtns.F b/source/wham/src-HCD-5D/readrtns.F index 84a366f..bca3771 100644 --- a/source/wham/src-HCD-5D/readrtns.F +++ b/source/wham/src-HCD-5D/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