Re: [gmx-users] No data on Pullf and Pullx files after restart

[Mark Abraham]

Hi,

That sounds like something an older version of GROMACS might have done.
Which is it? Does it happen with a new one?

Mark

On Tue, 4 Apr 2017 11:11 Souparno Adhikary  wrote:

> Hello,
>
> I restarted my umbrella sampling simulations using the tpbconv command. I
> used the -vel option in the command. It ran successfully. After that, when
> I am running the new simulations, pullf and pullx files are created for
> each sample but no data gets written in them.
>
> I am absolutely clueless how to solve this. Can you please help?
>
> Thanks in advance.
>
> Best regards,
>
> Souparno
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[gmx-users] No data on Pullf and Pullx files after restart

[Souparno Adhikary]

Hello,

I restarted my umbrella sampling simulations using the tpbconv command. I
used the -vel option in the command. It ran successfully. After that, when
I am running the new simulations, pullf and pullx files are created for
each sample but no data gets written in them.

I am absolutely clueless how to solve this. Can you please help?

Thanks in advance.

Best regards,

Souparno
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

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