ADL: increase max_tors

Tarjei S Hveem tarjeis at stud.ntnu.no
Wed Feb 2 05:11:00 PST 2005


Dear all

I'd like to increase the maximum allowed number of torsions for a ligand
in autodock. I read some postings on the subject on this list, but still
can't get it working. Are there any upper limit for MAX_TORS? I've changed
the MAX_TORS variable in constants.h to 128, increased the TOR_ARG_LIST
with elements from 0 to 127 and also set the NLIGTOR variable to 128. Then
I get an error message that I have to change LINE_LEN in autocomm.h to
exceed 388, but when I try that, the program will not compile
correctly.

Thanks in advance

Tarjei



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