Re: [AMBER] Generating a HETATM database to use with reduce

From: David A Case <>
Date: Fri, 15 Jul 2016 08:12:18 -0400

On Fri, Jul 15, 2016, Kucharski Jr., Amir N wrote:
> What commands do I need to use in tleap in order to do this? I know how
> to load the mol2 and pdb files, but what is the command to save a new
> pdb file with the proper hydrogen configurations?

savePdb (tleap automatically adds missing hydrogens; there is no special
command to do that)


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Received on Fri Jul 15 2016 - 05:30:03 PDT
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