ADL: MAX_TORS

Ian Kerman ikerman at biomatrica.com
Wed Jan 21 11:50:47 PST 2009


There was a fairly lengthy thread on this topic earlier in which I had the same question. If you search the archives for "Question with changing TORSDOF" you should be able to pull it up. Regarding where to find the file, you have to download the source code and then modify the file. After that you can recompile the code and make sure it works. I still haven't been able to compile a working version of Autodock, but I think it's a problem with one of my libraries and I haven't investigated it much after that.



Ian Kerman
Research Associate
 

-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu] On Behalf Of Gav
Sent: Wednesday, January 21, 2009 4:13 AM
To: autodock
Subject: ADL: MAX_TORS

Hi
I have been told


autodock4: ERROR: ERROR: Too many torsions have been found (i.e. 34); 
maximum allowed is 32.
  Either: change the "#define MAX_TORS" line in constants.h
  Or:     edit "ind.pdbqt" to reduce the number of torsions defined.
autodock4: Aborting...

I need to sort this for big ligands.  But I installed ad4 in Gentoo 
Linux so will anyone tell me where it resides?
_
-- 
email:  home at unixdaemonuk.com
url:    http://www.unixdaemonuk.com

________________________________________________
--- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---



More information about the autodock mailing list