X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;h=35fb03df49a00cbe37b028566f548151258c01b9;hb=8893600311f79a24c198d25fcacd1b8897b052cd;hp=0a868ced7c8f27c17962f01724ccb7af55e0f14e;hpb=6304fe426dd266ba99503f2cc4a5b9d396511b2f;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index 0a868ce..35fb03d 100644 --- a/source/unres/src_MD-M/COMMON.CONTROL +++ b/source/unres/src_MD-M/COMMON.CONTROL @@ -2,19 +2,21 @@ & inprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog,selfguide, & constr_homology,homol_nset real*8 waga_homology - real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut + real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut, + & dist2_cut logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, - & gnorm_check,gradout,split_ene,read2sigma + & gnorm_check,gradout,split_ene,read2sigma, + & start_from_model common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf, & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,iprint, & overlapsc,energy_dec,sideadd,lsecondary,read_cart,unres_pdb & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file, & constr_dist,gnorm_check,gradout,split_ene,symetr,AFMlog, & selfguide, - & constr_homology,homol_nset,read2sigma + & constr_homology,homol_nset,read2sigma,start_from_model common /homol/ waga_homology(maxprocs/20), - & waga_dist, waga_angle, waga_theta, waga_d, dist_cut + & waga_dist, waga_angle, waga_theta, waga_d, dist_cut,dist2_cut C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix