[gmx-users] [Fwd: "ref_t and tau_t values" problem]

[Tsjerk Wassenaar]

Oo, that's so bad!

Don't couple a handful of atoms separately to the heat bath. Check the
archives for more information on that. Rather use two coupling groups:
Protein and Non-Protein which are also standard gmx groups.

Tsjerk

On 12/25/05, Itamar Kass <ikass at cc.huji.ac.il> wrote:
>
>
> try use: tc-grps                    =  Protein  SOL    Na
> instaed of: tc-grps                 =  Protein  SOL    Na+
>
>    Itamar.
> Quoting David van der Spoel <spoel at xray.bmc.uu.se>:
>
> >
> >
> > -------- Original Message --------
> > Subject:      "ref_t and tau_t values" problem
> > Date:         Sun, 25 Dec 2005 18:28:10 +0330
> > From:         hnam <mahnam at ibb.ut.ac.ir>
> > To:   David van der Spoel <spoel at xray.bmc.uu.se>
> >
> >
> >
> >
> >
> > I use ff G43a1 and I added 9 Na+ to my top file
> > When I run grompp  with pr.mdp it says:
> > Program grompp, VERSION 3.3
> > Source code file: readir.c, line: 1131
> > Fatal error:
> > Not enough ref_t and tau_t values!
> > Will you please tell me what I must do ?
> >
> >
> > Thank you very much in advance
> > Institute of  Biochemistry  and  Biophysics (IBB)
> > Tehran University
> > P.O.box 1417614411
> > Tehran
> > Iran
> >
> >
> > --
> > 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
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
>
>
>
>
> ===========================================
> | Itamar Kass
> | The Alexander Silberman
> | Institute of Life Sciences
> | Department of Biological Chemistry
> | The Hebrew University, Givat-Ram
> | Jerusalem, 91904, Israel
> | Tel: +972-(0)2-6585194
> | Fax: +972-(0)2-6584329
> | Email: ikass at cc.huji.ac.il
> | Net: http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html
> ============================================
>
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--

Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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