Dear Author,
I have the similar problem on my ligand which has saccharide residues,
and glycam_2000 frcmod contains some atom types, like "EC", "AC" that
are not in lower case. So, should I transform them to lower case or
is there any other resolution of this problem?
Thank you very much!
Best Regards,
sychen
On Wed, 24 Apr 2002 08:59:14 -0700
David Case <case.scripps.edu> wrote:
> On Wed, Apr 24, 2002, jeff dyason wrote:
>
> > When I went to run a sander job using the prmtop and
> > prmcrd files generated by leap from an antechamber generated file an
> > error appeared on the command line:-
> >
> > bad atom type : ca
> >
>
> This only happens with GBSA: the surface area routine does not know about
> the atom types in gaff.
>
> You could set gbsa to zero if you just want to explore. I have also posted
> bugfix.7 at the Amber web site to allow the surface area routines to
> recognize the lower case atom types.
>
> ...thanks for pointing out this problem....dac
>
> --
>
> ==================================================================
> David A. Case | e-mail: case.scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
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> ==================================================================
Received on Sun Apr 06 2003 - 17:53:01 PDT
