X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=e512e53161ee1f699772f9f328cab8d8e0d5e28c;hb=1d656a815651f26cc5ccb9ccf24d66cbbae2a048;hp=9fce3c52e4a05698d9ea07bbc9f1c048301d150a;hpb=b847bacd7f528a68d640b3d58d4f5b9ce3c6ede2;p=unres.git diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL index 9fce3c5..e512e53 100644 --- a/source/unres/src_MD/COMMON.CONTROL +++ b/source/unres/src_MD/COMMON.CONTROL @@ -1,15 +1,20 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, - & inprint,i2ndstr,mucadyn,constr_dist,constr_homology - real*8 waga_dist, waga_angle - logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, + & 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 + 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 + & gnorm_check,gradout,split_ene,read2sigma common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf, - & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,iprint, + & 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, - & waga_dist, waga_angle + & homol_nset,read2sigma + common /homol/ waga_homology(maxprocs/20), + & waga_dist, waga_angle, waga_theta, waga_d, dist_cut C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix