X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;h=b8a775eb849513b8bb08f3ffad850ce8b72d7503;hb=f038962fbb96e0c2c6f1ccb910373ceddd5b387b;hp=f9184f86d2ca08a878794ea0ae00d197eedbf042;hpb=0ef28a0babbfafd06d3977c622ecbe98a5f41e86;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index f9184f8..b8a775e 100644 --- a/source/unres/src_MD-M/COMMON.CONTROL +++ b/source/unres/src_MD-M/COMMON.CONTROL @@ -1,5 +1,5 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, - & inprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog + & inprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog,selfguide logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, @@ -8,6 +8,7 @@ & 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,symetr,AFMlog + & constr_dist,gnorm_check,gradout,split_ene,symetr,AFMlog, + & selfguide C... minim = .true. means DO minimization. C... energy_dec = .true. means print energy decomposition matrix