X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=ce2c00dbf156834426471f02b0a2cbf21e3ddf4c;hb=73ca05fce4b785367bd9600c24a7f026feff14bf;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..ce2c00d 100644 --- a/source/unres/src_MD/COMMON.CONTROL +++ b/source/unres/src_MD/COMMON.CONTROL @@ -1,6 +1,6 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, & inprint,i2ndstr,mucadyn,constr_dist,constr_homology - real*8 waga_dist, waga_angle + 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, @@ -10,6 +10,6 @@ & 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_dist, waga_angle, waga_theta, waga_d, dist_cut C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix