Fixed the "***" issue in PDB output format by shifting the center of each molecule...
[unres.git] / source / wham / src / COMMON.VAR
1 C Store the geometric variables in the following COMMON block.
2       integer ntheta,nphi,nside,nvar,Origin,nstore,ialph,ivar,
3      &        mask_theta,mask_phi,mask_side
4       double precision theta,phi,alph,omeg,varsave,esave,varall,vbld,
5      &  vbld_ref,theta_ref,phi_ref,alph_ref,omeg_ref,
6      &          thetaref,phiref,costtab,sinttab,cost2tab,sint2tab,
7      &          xxtab,yytab,zztab,xxref,yyref,zzref,omicron,tauangle
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)
19 C Store the angles and variables corresponding to old conformations (for use
20 C in MCM).
21       common /oldgeo/ varsave(maxvar,maxsave),esave(maxsave),
22      &  Origin(maxsave),nstore
23 C freeze some variables
24       logical mask_r
25       common /restr/ varall(maxvar),mask_r,mask_theta(maxres),
26      &               mask_phi(maxres),mask_side(maxres)