parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
- parameter (maxres=800)
+ parameter (maxres=1000)
C Appr. max. number of interaction sites
integer maxres2,maxres6,mmaxres2
parameter (maxres2=2*maxres,maxres6=6*maxres)
parameter (maxlob=4)
C Max. number of S-S bridges
integer maxss
- parameter (maxss=20)
+ parameter (maxss=60)
C Max. number of dihedral angle constraints
integer maxdih_constr
parameter (maxdih_constr=maxres)
parameter (max_pool=10)
C Number of energy components
integer n_ene,n_ene2
- parameter (n_ene=24,n_ene2=2*n_ene)
+ parameter (n_ene=25,n_ene2=2*n_ene)
C Number of threads in deformation
integer max_thread,max_thread2
parameter (max_thread=4,max_thread2=2*max_thread)
C Maximum number of conformation stored in cache on each CPU before sending
C to master; depends on nstex / ntwx ratio
integer max_cache_traj
- parameter (max_cache_traj=10)
+ parameter (max_cache_traj=200)
C Maximum number of templates in homology-modeling restraints
integer max_template
- parameter(max_template=19)
+ parameter(max_template=25)
+C Maximum number of bins in SAXS restraints
+ integer MaxSAXS
+ parameter (MaxSAXS=1000)