Re: [AMBER] RuntimeError in Pytraj

From: Hai Nguyen via AMBER <amber.ambermd.org>
Date: Thu, 2 Mar 2023 14:13:44 -0500

On Thu, Mar 2, 2023 at 2:05 PM maryam ghorbaninia via AMBER <
amber.ambermd.org> wrote:

> Hi,
> In pytraj I cannot load my files.
> my scripts were:
>
> *traj = pt.iterload('my-file.nc <http://my-file.nc>', 'my-file.parm7')*
> or
> *pt.iterload('my_file.pdb')*
>
>
Hi

Is this my_file.pdb legit? (e.g: does it exist? is it an empty file?)

Hai

and I got this error on both:
>
> *RuntimeError: n_atoms = 0: make sure to load correct Topology filename or
> load supported topology (pdb, amber parm, psf, ...)*
>
> I would be grateful if you help me.
>
> Best,
> Maryam
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Received on Thu Mar 02 2023 - 11:30:03 PST
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