[gmx-users] anadock does not run

[Shatadal Ghosh]

Dear All,

The gromacs manual mentions that anadock can be used for clustering autodock 
runs. I have a number of autodock runs from which I extract the docked 
conformations (simply by grepping for the "DOCKED: " expression and using 
sed to strip it away) and concatenate them to a single pdb file. Then when I 
use the anadock command for the single pdb file I get the following error:

Found 0 pdb files
Fatal error: No points in distribution

However g_cluster reads the file and works fine without any errors.

Does the input to anadock be in some special format?

Thanks,
Shatadal.

_________________________________________________________________
On the road to retirement? Check out MSN Life Events for advice on how to 
get there! http://lifeevents.msn.com/category.aspx?cid=Retirement