[gmx-users] tpbconv *.xtc files!

[David van der Spoel]

On Wed, 2004-04-28 at 07:46, Stud_Psychopharm wrote:
> hi all,
> Will tpbconv program read *.xtc files to creat the *.tpr file for the 
> next mdrun. I have deleted my *.trr file unkowingly.
> Kindly inform if any other way to do this.

In that case it is better to use the confout.gro file, since it has the
same precision as the xtc file, but it does have the velocities as well.

> Many Thanks in advance.
> 
> ------------------------------------------------------------
> "The more we learn the more we realize how little we know." - 
> R.Buckminster Fuller 
> 
> Blaise M.
> Graduate Student,
> Department of Psychopharmacology,
> National Institute of Mental Health And Neuro Sciences (NIMHANS),
> Bangalore-560029,
> India. Tel: 91 80 6995112.
> 
> 
> -----Original Message-----
> From: David <spoel at xray.bmc.uu.se>
> To: gmx-users at gromacs.org
> Date: Tue, 27 Apr 2004 23:35:43 +0200
> Subject: Re: [gmx-users] energy units?!
> 
> > On Tue, 2004-04-27 at 21:08, Luciano wrote:
> > > Hi List, hi David ...I'm sorry! I would want to talk about energy
> > > calculate (and not energy units!). And about the conversion of the
> > units
> > > ...?
> > > 
> > >  The MD protocol is:
> > > 
> > >  T = 50 K and P =1.0 bar
> > >  N = 150 Argon particles 
> > > 
> > which LJ parameters? What volume / density ?
> > 
> > The only interaction is LJ so that's easy enough.
> > >   
> > >  Thanks!
> > > 
> > >  Luciano
> > > 
> > > ######################################################
> > >                Luciano Tavares da Costa
> > >              Mestre em Engenharia Química
> > >    icq #232852036 ; ltcosta at universiabrasil.net  
> > >   Doutorando Laboratório de Espectroscopia Molecular
> > >               Instituto de Química - USP
> > >              
> > > ######################################################
> > > 
> > > 
> > >
> > -----------------------------------------------------------------------
> > > Estamos quase lá e contamos com você para ganharmos o Prêmio iBest
> > 2004
> > > da categoria Educação e Treinamento. Vote novamente no Universia
> > > nesta fase final e concorra a uma Chevrolet Montana Sport 0 Km.
> > > 
> > > 
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> > -- 
> > David.
> > _______________________________________________________________________
> > _
> > David van der Spoel, PhD, Assist. 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, Assist. 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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