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