David A Case <david.case.rutgers.edu> escribió:
> On Tue, Dec 10, 2019, MYRIAN TORRES RICO wrote:
>>
>> I have a problem with my MD-tar. I have launched the scritps and I
>> have obtained this error:
>
> Here's one problem: we don't know what you mean by "MD-tar", or "the
> scripts". So we can't really help very much.
>>
>>
>> ERROR: NetCDF restart has Conventions that are not AMBERRESTART.
>> ERROR: Could not read second line of ./vcte/smp-195-ptn4rig_vcon3.mdcrd
>
> Try this: 'file ./vcte/smp-195-ptn4rig_vcon3.mdcrd': does is say "data"
> or something like "ascii text"? Also, the "mdcrd" extension is usually
> used for trajectory files, not restart files. Is it possible that you
> fed some program a trajectory file instead of a restart file?
>
> ....dac
>
>
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MD-tar is only a molecular dynamic more shorter. My Dynamics there are
formed by 10 steps, (10 scripts = 10 executables files)
1-2: minimization step
3-6: heat step
7: pressure constant step
8: restrictions step
and the experiment stop in the first step, and I obtaining this error:
ERROR: NetCDF restart has Conventions that are not AMBERRESTART.
>> ERROR: Could not read second line of ./vcte/smp-195-ptn4rig_vcon3.mdcrd
Is the first time that this error appears, I have check the .mdcrd
file and this is a data file.
Thanx in advance
Myriam
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Received on Tue Dec 10 2019 - 07:30:02 PST
