1 ******************************************************************
3 * Array dimensions for the clustering programs:
5 * Max. number of conformations in the data set.
7 integer maxconf,maxstr_proc
8 PARAMETER (MAXCONF=50000)
9 parameter (maxstr_proc=maxconf)
11 * Max. number of "distances" between conformations.
14 PARAMETER (MAXDIST=10000)
16 * Max. number of clusters. Should be set to MAXCONF; change only if there are
17 * problems with memory. In such a case be suspicious about the results, however!
20 PARAMETER (MAXGR=maxstr_proc)
22 * Max. number of conformations in a cluster. Remark above applies also here.
25 c PARAMETER (MAXINGR=maxstr_proc)
28 * Max. number of cut-off values
33 * Max. number of properties
38 *******************************************************************