ADL: torsion freedom

mswingle at jaguar1.usouthal.edu mswingle at jaguar1.usouthal.edu
Mon Oct 22 19:46:10 PDT 2007


It's in line 110

#define MAX_TORS     32       /* Maximum number of torsions in Small Molecule. */

You may also need to increase MAX_TREES in line 109. This is the maximum number of 
torsion trees.

You can only edit the source code; you MUST recompile.

Regards,

Mark

----- Original Message -----
From: Hairat Sabit <hairat at hotmail.com>
Date: Monday, October 22, 2007 8:14 pm
Subject: ADL: torsion freedom
To: autodock at scripps.edu


> Hi, all
>  
> I am trying to change the maximum torsion freedom allowed in 
> constant.h file, which was set to 32
>  
> 1) What is the constant name in this file
>  
> 2) Is there certain upper limit for this constant
>  
> 3) If I change it in binary file, does it need to be compiled.
>  
> Thanks a lot in advance,
>  
> HS
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