[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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