X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD_DFA%2FCOMMON.CONTROL;fp=source%2Funres%2Fsrc_MD_DFA%2FCOMMON.CONTROL;h=c12ef3a566bdbe338a17ba458ee33ee0f56e8320;hb=d21d93a57773de0c363db8764a376202f3a0552d;hp=0000000000000000000000000000000000000000;hpb=b8f5b4118dc932c21ad2bdbba905850f8297a6a2;p=unres.git diff --git a/source/unres/src_MD_DFA/COMMON.CONTROL b/source/unres/src_MD_DFA/COMMON.CONTROL new file mode 100644 index 0000000..c12ef3a --- /dev/null +++ b/source/unres/src_MD_DFA/COMMON.CONTROL @@ -0,0 +1,13 @@ + integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad, + & inprint,i2ndstr,mucadyn,constr_dist + logical minim,refstr,pdbref,outpdb,outmol2,overlapsc,energy_dec, + & sideadd,lsecondary,read_cart,unres_pdb, + & vdisulf,searchsc,lmuca,dccart,extconf,out1file, + & gnorm_check,gradout,split_ene + common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf, + & 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 +C... minim = .true. means DO minimization. +C... energy_dec = .true. means print energy decomposition matrix