Debarati,
this is strange, the atom names seem ok.
Maybe there is a problem reading in the FF parameters?
Please check (and maybe post) your tleap input commands (and output
messages), where you setup the force field parameters.
Best,
Anselm
Bioinformatik | NHR.FAU
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Germany
On 08/04/2022 02:50 AM, Debarati DasGupta via AMBER wrote:
> Hi all
> I am stumped at this pdb I am trying to feed to AMBER for simulations.
> Any ideas why the NME cap is not being recognized?
> Error I am getting is this: see picture here
> My NME residue looks like this:
> [cid:154fd81a-307a-44dc-a2b8-eb7891647a98]
>
> [cid:947e3ba7-5dad-4be5-acaa-e67ff624a4d8]
>
>
>
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Received on Thu Aug 04 2022 - 13:38:02 PDT
