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=25)
+C Maximum number of bins in SAXS restraints
+ integer MaxSAXS
+ parameter (MaxSAXS=1000)