X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;fp=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=438efaf53b33bfe00282715a43c3b7f741361314;hb=c3d632cf84fd647434c093cb3fd69ea605293f75;hp=0202bae231ef4b6a057bc28ce25a90934671298e;hpb=18a1b07c92cc72ae6088ec6521a2d26d5229e605;p=unres.git diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL index 0202bae..438efaf 100644 --- a/source/unres/src_MD/COMMON.CONTROL +++ b/source/unres/src_MD/COMMON.CONTROL @@ -1,6 +1,7 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, & inprint,i2ndstr,mucadyn,constr_dist,constr_homology,homol_nset - real*8 waga_dist, waga_angle + real*8 waga_dist1,waga_angle1 + real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, @@ -10,7 +11,8 @@ & 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, waga_theta, waga_d, dist_cut, & homol_nset - common /homol/ waga_dist(maxprocs/20), waga_angle(maxprocs/20) + common /homol/ waga_dist1(maxprocs/20), waga_angle1(maxprocs/20) C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix