X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.CONTROL;h=e9b05fee0609e0c1936b7a7e792f4888e6481e44;hb=f38a5bce43e7aa0071f0a3862eff6e9866ff03a1;hp=8a3fbf57d54106efe682ce0bfe5e06d6235d1512;hpb=640bb912c3b2b3ca0742fa4d15735e0eea2e7744;p=unres.git diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL index 8a3fbf5..e9b05fe 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,homol_nset - real*8 waga_dist1,waga_angle1 + & 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, @@ -14,7 +14,7 @@ & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file, & constr_dist,gnorm_check,gradout,split_ene,constr_homology, & homol_nset - common /homol/ waga_dist1(maxprocs/20), waga_angle1(maxprocs/20), + 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