ADL: how to not merge non-polar H

kanin wichapong kwichapong at gmail.com
Wed May 24 03:39:59 PDT 2006


Dear All,
       I use the ADTtool to prepare my input file for the protein and
ligand. I have some problelm for my ligand. I want to add all H to my ligand
but  the progarm always merge non polar H. When I check in my pdbq file, the
non polar H is disappear. I also change the default of adt_automergeNPHS to
both 0 or 1 but the program still merge the non-polar H. So wonder how to
not to merge non polar H?
       Thank you so much for your help.

Best Regard,
Kanin


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