X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCOMMON.VAR;h=dfc172461bb90455722762d63eebc3ecfdb4e1fd;hb=42251e287a50083c0337e4d78b357b370f832666;hp=2b11894077b83afd40f6327529293860c592fff6;hpb=e7fd0c7782f6f624b41009800df8e3d5e0e9add5;p=unres.git diff --git a/source/wham/src/COMMON.VAR b/source/wham/src/COMMON.VAR index 2b11894..dfc1724 100644 --- a/source/wham/src/COMMON.VAR +++ b/source/wham/src/COMMON.VAR @@ -1,17 +1,26 @@ C Store the geometric variables in the following COMMON block. - integer ntheta,nphi,nside,nvar,ialph,ivar - double precision theta,phi,alph,omeg,vbld,vbld_ref, - & theta_ref,phi_ref,alph_ref,omeg_ref, - & costtab,sinttab,cost2tab,sint2tab, - & xxtab,yytab,zztab,tauangle,omicron + integer ntheta,nphi,nside,nvar,Origin,nstore,ialph,ivar, + & mask_theta,mask_phi,mask_side + double precision theta,phi,alph,omeg,varsave,esave,varall,vbld, + & vbld_ref,theta_ref,phi_ref,alph_ref,omeg_ref, + & thetaref,phiref,costtab,sinttab,cost2tab,sint2tab, + & xxtab,yytab,zztab,xxref,yyref,zzref,omicron,tauangle common /var/ theta(maxres),phi(maxres),alph(maxres),omeg(maxres), & omicron(2,maxres),tauangle(3,maxres), - & vbld(2*maxres), + & vbld(2*maxres),thetaref(maxres),phiref(maxres), & costtab(maxres), sinttab(maxres), cost2tab(maxres), & sint2tab(maxres),xxtab(maxres),yytab(maxres), - & zztab(maxres), + & zztab(maxres),xxref(maxres),yyref(maxres),zzref(maxres), & ialph(maxres,2),ivar(4*maxres2),ntheta,nphi,nside,nvar C Angles from experimental structure common /varref/ vbld_ref(maxres), & theta_ref(maxres),phi_ref(maxres), & alph_ref(maxres),omeg_ref(maxres) +C Store the angles and variables corresponding to old conformations (for use +C in MCM). + common /oldgeo/ varsave(maxvar,maxsave),esave(maxsave), + & Origin(maxsave),nstore +C freeze some variables + logical mask_r + common /restr/ varall(maxvar),mask_r,mask_theta(maxres), + & mask_phi(maxres),mask_side(maxres)