AMBER Archive (2005)

Subject: Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 11 2005 - 20:58:21 CST


On Thu, Nov 10, 2005, Nitin Bhardwaj wrote:
>
> First loaded the prepin and frcmod files only (without loading the
> gaff) and then loaded the PDB. It gives a whole list of errors :
>
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes

These are not really errors, but make sense: the leaprc files have the
addAtomTypes commands; if you omit them, you would have to issue the
addAtomTypes commands by some other mechanism.

....dac
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