[gmx-users] tpbconv *.xtc files!

Stud_Psychopharm stu_psyc at nimhans.kar.nic.in
Wed Apr 28 07:43:00 CEST 2004


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.
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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