first and last GLY in seq gives correct energy in unres and wham
[unres.git] / source / cluster / wham / src / COMMON.VAR
1 C Store the geometric variables in the following COMMON block.
2       integer ntheta,nphi,nside,nvar,ialph,ivar
3       double precision theta,phi,alph,omeg,vbld,vbld_ref,
4      &  theta_ref,phi_ref,alph_ref,omeg_ref,
5      &          thetaref,phiref,xxref,yyref,zzref,
6      &  costtab,sinttab,cost2tab,sint2tab,tauangle,omicron,
7      &          xxtab,yytab,zztab
8       common /var/ theta(maxres),phi(maxres),alph(maxres),omeg(maxres),
9      &          omicron(2,maxres),tauangle(3,maxres),
10      &          vbld(2*maxres),thetaref(maxres),phiref(maxres),
11      &          costtab(maxres), sinttab(maxres), cost2tab(maxres),
12      &          sint2tab(maxres),xxtab(maxres),yytab(maxres),
13      &          zztab(maxres),xxref(maxres),yyref(maxres),zzref(maxres),
14      &          ialph(maxres,2),ivar(4*maxres2),ntheta,nphi,nside,nvar
15 C Angles from experimental structure
16       common /varref/ vbld_ref(maxres),
17      &  theta_ref(maxres),phi_ref(maxres),
18      &  alph_ref(maxres),omeg_ref(maxres)