Re: [AMBER] error

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 10 Dec 2019 12:01:45 -0500

Hi,

You haven't told us exactly what you have done, so I'm just guessing
here, but it seems like you're trying to run sander or pmemd using a
*trajectory* file in place of starting coordinates (i.e. you're
specifying a trajectory file for '-c'). You need to provide a proper
ASCII or NetCDF restart file for '-c'.

-Dan


On Tue, Dec 10, 2019 at 7:27 AM MYRIAN TORRES RICO
<myriam.torres.iiq.csic.es> wrote:
>
>
> Hi,
>
> I have a problem with my MD-tar. I have launched the scritps and I
> have obtained this error:
>
>
> ERROR: NetCDF restart has Conventions that are not AMBERRESTART.
> ERROR: Could not read second line of ./vcte/smp-195-ptn4rig_vcon3.mdcrd
>
>
> I have reviewed the file and apparently everything is fine...any idea?
>
> Thanx in advance!
>
>
> Myriam
>
>
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Received on Tue Dec 10 2019 - 09:30:02 PST
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