[gmx-users] Continuation of finished job
Gia Maisuradze
gia at chem.unr.edu
Fri Jun 17 22:48:37 CEST 2005
David and Anton,
Thanks for your answers. I'll use trjcat and eneconv when MD simulation
finish.
Gia
----- Original Message -----
From: "Anton Feenstra" <feenstra at few.vu.nl>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Friday, June 17, 2005 2:07 AM
Subject: Re: [gmx-users] Continuation of finished job
> Gia Maisuradze wrote:
>
>> David,
>>
>> Thanks again. I am running MD for 10ns. I have renamed .trr , .xtc and
>> other output files for this run. I believe that when MD simulation will
>> be done, these new output files will contain the information of all
>> entire 20ns (10ns+10ns) simulation. Is it correct?
>
> No. The old (renamed) files contain the first 10ns, the new files will
> contain the second 10ns.
>
> Use trjcat and eneconv to combine the files.
>
> --
> Groetjes,
>
> Anton
>
> * NOTE: New Phone & Fax numbers (below) *
>
> _____________ _______________________________________________________
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