ADL: MAX_TORS

Carsten Detering detering at u.washington.edu
Wed Sep 8 19:46:47 PDT 2004


Dear all,

I would like to increase the maximum allowed number of torsions for a 
ligand in autodock to 50. I changed the MAX_TORS in 
./autodock/constants.h to 50. Then (after recompilation) autodock got me 
an error message with "LINE_LEN = 128, Therefore you must change 
"LINE_LEN" to exceed 154". After finding LINE_LEN in autocomm.h I 
changed it to 256 (and also 160 and 155), however the recompilation of 
autodock did not succeed. There is a bunch of "undefined references" (to 
nonbonds, mkTorTree).
Could anybody please tell me how to sucessfully compile autodock with 
more than 32 torsions?

Thanks a lot in advance,

Carsten
-- 

Carsten Detering
University of Washington
Seattle, WA 98195
Fon 206.543.5081
Fax 206.685.8665





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