[gmx-users] md.log

[Ramachandran G]

Hi Itamar,
    Thanks for your help. Without the md.log file i could able to
extend the simulation time but i could not able to append to results
to my old .trr and .edr files.
Rama


On Mon, Dec 13, 2010 at 6:39 PM, Itamar Kass <itamar.kass at monash.edu> wrote:
> Hi,
>
> the log file is not needed for extension. Use something like:
>
> grompp -f md_extension.mdp -c MD_01.gro -n system.ndx -p system.top -t
> MD_01.trr -r MD_01.edr -o MD_02.tpr
>
> Itamar
>
> On 14/12/10 1:29 PM, Ramachandran G wrote:
>>
>> Hi gmx-users:
>>     I am trying to extend my simulation run but unfortunately i
>> deleted the file md.log. Is there any way i get my md.log file using
>> the existing .edr or .trr files so that i can proceed further.
>> Thank you.
>> Rama
>
> --
>
>
> "In theory, there is no difference between theory and practice. But, in
> practice, there is." - Jan L.A. van de Snepscheut
>
> ===========================================
> | Itamar Kass, Ph.D.
> | Postdoctoral Research Fellow
> |
> | Department of Biochemistry and Molecular Biology
> | Building 77 Clayton Campus
> | Wellington Road
> | Monash University,
> | Victoria 3800
> | Australia
> |
> | Tel: +61 3 9902 9376
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> | E-mail: Itamar.Kass at monash.edu
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-- 
Postdoctoral Research Scholar,
Department of Chemistry,
University of Nevada, Reno.