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=04cbfb715506dd22c8c1dbd4e45f963bb70bda66;hb=e910def1e1c1c0f0b35e8ce1cbf2a9ee59628771;hp=6c0980ca473d935b2614b52567e3018c2f30eeb0;hpb=d101c97dea752458d76055fdbae49c26fff03c1f;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.CONTROL b/source/unres/src_MD-M/COMMON.CONTROL index 6c0980c..04cbfb7 100644 --- a/source/unres/src_MD-M/COMMON.CONTROL +++ b/source/unres/src_MD-M/COMMON.CONTROL @@ -1,5 +1,6 @@ integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, - & inprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog,selfguide + & inprint,i2ndstr,mucadyn,constr_dist,symetr,AFMlog,selfguide, + & shield_mode logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, & sideadd,lsecondary,read_cart,unres_pdb, & vdisulf,searchsc,lmuca,dccart,extconf,out1file, @@ -8,7 +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, - & selfguide,AFMlog, + & selfguide,AFMlog,shield_mode, & constr_dist,gnorm_check,gradout,split_ene,with_theta_constr, & symetr C... minim = .true. means DO minimization.