X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=9fce3c52e4a05698d9ea07bbc9f1c048301d150a;hb=b847bacd7f528a68d640b3d58d4f5b9ce3c6ede2;hp=c12ef3a566bdbe338a17ba458ee33ee0f56e8320;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL index c12ef3a..9fce3c5 100644 --- a/source/unres/src_MD/COMMON.CONTROL +++ b/source/unres/src_MD/COMMON.CONTROL @@ -1,5 +1,6 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, - & inprint,i2ndstr,mucadyn,constr_dist + & inprint,i2ndstr,mucadyn,constr_dist,constr_homology + real*8 waga_dist, waga_angle logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, @@ -8,6 +9,7 @@ & icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,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_dist,gnorm_check,gradout,split_ene,constr_homology, + & waga_dist, waga_angle C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix