Hi,

I want to calculate dock6 amber scoring function of multiple ligands (i.e. 15000).

i follow the below tutorial

http://dock.compbio.ucsf.edu/DOCK_6/tutorials/amber_score/amber_score.htm

i faced the following error.

1.  It not split more than 100 molecules.

2.  it shows the ligand name error, that is

Error from amberize_complex; the name of the ligand is

{(3R*,4R*)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]pyrrolidin-3-yl}methanol

Examine amberize_complex.3fn7.100.out

How could i solve the problem? Please guide me.