multichain wham ignores conf. energies>10E6 and speed up of starts
[unres.git] / source / cluster / wham / src / COMMON.HOMRESTR
1        real*8 odl(max_template,maxdim),sigma_odl(max_template,maxdim),
2      &    dih(max_template,maxres),sigma_dih(max_template,maxres),
3      &    sigma_odlir(max_template,maxdim)
4 c
5 c    Specification of new variables used in  subroutine e_modeller
6 c    modified by FP (Nov.,2014)
7        real*8 xxtpl(max_template,maxres),yytpl(max_template,maxres),
8      &        zztpl(max_template,maxres),thetatpl(max_template,maxres),
9      &        sigma_theta(max_template,maxres),
10      &        sigma_d(max_template,maxres)
11 c
12
13        integer ires_homo(maxdim),jres_homo(maxdim)
14
15        double precision 
16      & Ucdfrag,Ucdpair,dUdconst(3,0:MAXRES),Uconst,
17      & dUdxconst(3,0:MAXRES),dqwol(3,0:MAXRES),dxqwol(3,0:MAXRES),
18      & dutheta(maxres),dugamma(maxres),
19      & duscdiff(3,maxres),
20      & duscdiffx(3,maxres),
21      & uconst_back
22       integer lim_odl,lim_dih,link_start_homo,link_end_homo,
23      & idihconstr_start_homo,idihconstr_end_homo
24 c
25 c    FP (30/10/2014)
26 c
27 c     integer ithetaconstr_start_homo,ithetaconstr_end_homo
28 c
29       integer nresn,nyosh,nnos
30        common /back_constr/ uconst_back,uscdiff,
31      & dutheta,dugamma,duscdiff,duscdiffx
32        common /homrestr/ odl,dih,sigma_dih,sigma_odl,
33      & lim_odl,lim_dih,ires_homo,jres_homo,link_start_homo,
34      & link_end_homo,idihconstr_start_homo,idihconstr_end_homo,
35 c
36 c    FP (30/10/2014,04/03/2015)
37 c
38      & xxtpl,yytpl,zztpl,thetatpl,sigma_theta,sigma_d,sigma_odlir
39 c