X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fxdrfpdb%2Fsrc%2FCOMMON.CONTROL;fp=source%2Fxdrfpdb%2Fsrc%2FCOMMON.CONTROL;h=e512e53161ee1f699772f9f328cab8d8e0d5e28c;hb=a00bbb415ebf10446742a0a22dd279eccd90a2d9;hp=0000000000000000000000000000000000000000;hpb=ee883d438c43267225445df04be634ef1bd58186;p=unres.git diff --git a/source/xdrfpdb/src/COMMON.CONTROL b/source/xdrfpdb/src/COMMON.CONTROL new file mode 100644 index 0000000..e512e53 --- /dev/null +++ b/source/xdrfpdb/src/COMMON.CONTROL @@ -0,0 +1,20 @@ + 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 + 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, + & 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 + 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