[AMBER] Question Regarding reduce function of Antechamber

From: Ziheng Wang <zihengwang.sps.edu>
Date: Sat, 4 Apr 2015 19:34:22 +0000

Dear all,

I have been following tutorial B4, the protein-ligand system with sustiva. I tried to reduce the sustiva pdb file by using reduce sustiva > sustiva_h.pdb. However, the terminal log and the produced sustiva_h.pdb show that no hydrogens are added, as a result, the new sustiva_h.pdb has an odd number of electrons and cannot be processed by sqm. I wonder what caused the problem with the reduce method and how to fix it.

Thank you,

Tony
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Received on Sat Apr 04 2015 - 13:00:02 PDT
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