On 15/12/2010 10:07 AM, Ramachandran G wrote:
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.
That is what trjcat and eneconv are for.
Mark
Rama
On Mon, Dec 13, 2010 at 6:39 PM, Itamar Kass<itamar.k...@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
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| Department of Biochemistry and Molecular Biology
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| E-mail: itamar.k...@monash.edu
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