X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FCOMMON.VAR;h=c7b331bae07c8f5f0b47ce043fd7ebbf06d59db9;hb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;hp=326d6ec45b23ebb9e7364914982097e5c7d4d444;hpb=e7fd0c7782f6f624b41009800df8e3d5e0e9add5;p=unres.git diff --git a/source/cluster/wham/src/COMMON.VAR b/source/cluster/wham/src/COMMON.VAR index 326d6ec..c7b331b 100644 --- a/source/cluster/wham/src/COMMON.VAR +++ b/source/cluster/wham/src/COMMON.VAR @@ -2,15 +2,16 @@ 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, + & thetaref,phiref,xxref,yyref,zzref, & costtab,sinttab,cost2tab,sint2tab,tauangle,omicron, & xxtab,yytab,zztab common /var/ theta(maxres),phi(maxres),alph(maxres),omeg(maxres), - & vbld(2*maxres), + & omicron(2,maxres),tauangle(3,maxres), + & vbld(2*maxres),thetaref(maxres),phiref(maxres), & costtab(maxres), sinttab(maxres), cost2tab(maxres), & sint2tab(maxres),xxtab(maxres),yytab(maxres), - & zztab(maxres), - & ialph(maxres,2),ivar(4*maxres2),ntheta,nphi,nside,nvar, - & omicron(2,maxres),tauangle(3,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),