Re: [AMBER] EstJ6_DBP_bound_sus

From: David Case <>
Date: Fri, 20 Sep 2019 12:43:41 +0000

On Fri, Sep 20, 2019, wrote:

>> complex = loadpdb EstJ6_DBP_bound_sus.pdb

>Warning: There is a bond of 5.004838 angstroms between:
>FATAL: Atom .R<HIE 76>.A<HD1 18> does not have a type.


Use pdb4amber on the EstJ6_DBP_bound_sus.pdb file: that is likely to
give information about bad geometries, and should fix the problems with
the histidines (since it will assign the correct residue names based on
what hydrogen atoms are present in the input file.

...hope this helps...dac

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Received on Fri Sep 20 2019 - 06:00:05 PDT
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