1 integer maxstr,max_ene,maxprot,maxclass,maxfile_prot,maxobj,
2 & maxstr_proc, maxclass1
3 c Maximum number of structures in the database, energy components, proteins,
4 c and structural classes
7 parameter (maxstr=2000000,max_ene=21,maxprot=7,maxclass=5000)
9 parameter (maxstr=200000,max_ene=21,maxprot=7,maxclass=5000)
10 >>>>>>> e183793... Added src_MD-M-newcorr (Adasko's source) and src-NEWSC of WHAM (with Momo's SCSC potentials)
11 parameter (maxclass1=10)
12 c Maximum number of structures to be dealt with by one processor
13 parameter (maxstr_proc=20000)
14 c Maximum number of temperatures
17 c Maximum number of batches
19 parameter (maxbatch=1)
20 c Maximum number of energy/Zscore gaps for a single protein
22 parameter (maxgap=2*maxclass1)
23 c Maximum number of the components of the target function
24 parameter (maxobj=maxgap*maxprot*maxT)
25 c Maximum number of files with energies/coordinates
26 parameter (maxfile_prot=100)
27 c Maximum number of grid points in energy map evaluation
28 integer max_x,max_y,max_minim
29 parameter (max_x=200,max_y=200,max_minim=1000)
30 c Maximum number of processors
32 parameter (MaxProcs = 2048)
33 c Maximum number of optimizable parameters
35 parameter (max_paropt=500)
36 c Maximum number of fragments
38 c parameter (maxfrag=0)
39 c Maximum number of sublevels
41 parameter (maxlev=maxclass)
42 c Maximum number of grid points in temperature
44 parameter (MaxGridT=2000)