[gmx-users] Continuation of finished job

[David van der Spoel]

On Thu, 2005-06-16 at 14:17 -0700, 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?
> 
yes. use trjcat to concatenate trajectories and eneconv for energy
files.
> Thanks,
> 
> Gia
> 
> 
> ----- Original Message ----- 
> From: "David" <spoel at xray.bmc.uu.se>
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Sent: Thursday, June 16, 2005 1:30 PM
> Subject: Re: [gmx-users] Continuation of finished job
> 
> 
> > On Thu, 2005-06-16 at 12:41 -0700, Gia Maisuradze wrote:
> >> David,
> >>
> >> Thanks for your reply. I have used tpbconv for creation of run input file
> >> .tpr. So now I just need to run full MD simulation (no MD run with 
> >> position
> >> restraints). Am I correct?
> > Yes.
> >
> >
> > -- 
> > David.
> > ________________________________________________________________________
> > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> > Dept. of Cell and Molecular Biology, Uppsala University.
> > Husargatan 3, Box 596,          75124 Uppsala, Sweden
> > phone:  46 18 471 4205          fax: 46 18 511 755
> > spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
> > _______________________________________________
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> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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