X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fcontrol_data.F90;h=b1e824dfb8e1490793cb6e66a23af38dfef299c8;hb=08b96e38d3e1534b82b14c0a8c7948e490c6cebb;hp=e084359c1149a2269dcb9527d3dfc080a54efbae;hpb=df2469d9ac903d93889867f4e50e9bf6c428c1c6;p=unres4.git diff --git a/source/unres/data/control_data.F90 b/source/unres/data/control_data.F90 index e084359..b1e824d 100644 --- a/source/unres/data/control_data.F90 +++ b/source/unres/data/control_data.F90 @@ -30,13 +30,14 @@ ! common /cntrl/ integer :: modecalc,iscode,indpdb,indback,indphi,iranconf,& icheckgrad,iprint,i2ndstr,mucadyn,constr_dist,symetr,shield_mode,& - tubemode,genconstr,afmlog,selfguide,scelemode + tubemode,genconstr,afmlog,selfguide,scelemode,tor_mode,oldion,DRY_MARTINI logical :: minim,refstr,pdbref,overlapsc,& energy_dec,sideadd,lsecondary,read_cart,unres_pdb,& vdisulf,searchsc,lmuca,dccart,extconf,out1file,& - gnorm_check,gradout,split_ene,with_theta_constr,protein,ions,nucleic + gnorm_check,gradout,split_ene,with_theta_constr,protein,ions,nucleic,& + raw_psipred #ifdef CLUSTER - integer :: iopt,nend,nstart,outpdb,outmol2 !cluster + integer :: iopt,nend,nstart,outpdb,outmol2,nclust !cluster logical :: punch_dist,print_dist,lside,lprint_cart,lprint_int,& caonly,efree,from_bx,from_cx,from_cart ! cluster #else @@ -51,7 +52,8 @@ !----------------------------------------------------------------------------- ! common.spitele ! common /splitele/ - real(kind=8) :: r_cut,rlamb,r_cut_ele,rlamb_ele + real(kind=8) :: r_cut,rlamb,r_cut_ele,rlamb_ele,r_cut_mart,rlamb_mart,& + r_cut_ang,graddelta !----------------------------------------------------------------------------- ! common.time1 ! FOUND_NAN - set by calcf to stop sumsl via stopx