X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;fp=source%2Funres%2Fsrc_MD-M%2FCOMMON.CONTROL;h=b8a775eb849513b8bb08f3ffad850ce8b72d7503;hb=8df996bdc4bc56846b3799e9a2d47c24a9273125;hp=40346c751a45f4ce7029d994a24396b23a21525e;hpb=ad2687da4ea0c0ddde6c400a60c4817a689b3dff;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index 40346c7..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 + & 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 + & 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