X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=4dbaa2a8cd24a774758292a4a8376be6f7c63640;hb=13167365414585c4f4a1566397d56c6b07858a34;hp=e512e53161ee1f699772f9f328cab8d8e0d5e28c;hpb=4764dff6d4a43d5ae03320fbd0d2dbef3bb37e3f;p=unres.git diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL index e512e53..4dbaa2a 100644 --- a/source/unres/src_MD/COMMON.CONTROL +++ b/source/unres/src_MD/COMMON.CONTROL @@ -1,20 +1,23 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, & iprint,i2ndstr,mucadyn,constr_dist,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,checkgrad_inc logical minim,refstr,pdbref,outpdb,outmol2,outx,overlapsc, & energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, & gnorm_check,gradout,split_ene,read2sigma - common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf, + & ,start_from_model,read_homol_frag + common /cntrl/ checkgrad_inc, + & modecalc,iscode,indpdb,indback,indphi,iranconf, & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,outx, & iprint, & overlapsc,energy_dec,sideadd,lsecondary,read_cart,unres_pdb & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file, & constr_dist,gnorm_check,gradout,split_ene,constr_homology, - & homol_nset,read2sigma + & homol_nset,read2sigma,start_from_model,read_homol_frag 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