<br>
Oo, that's so bad!<br>
<br>
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.<br>
<br>
Tsjerk<br><br><div><span class="gmail_quote">On 12/25/05, <b class="gmail_sendername">Itamar Kass</b> <<a href="mailto:ikass@cc.huji.ac.il">ikass@cc.huji.ac.il</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>try
use:
tc-grps = Protein SOL Na<br>instaed
of:
tc-grps
= Protein SOL Na+<br><br> Itamar.<br>Quoting David van der Spoel <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>>:<br><br>><br>><br>> -------- Original Message --------<br>> Subject: "ref_t and tau_t values" problem
<br>> Date: Sun, 25 Dec 2005 18:28:10 +0330<br>> From: hnam <<a href="mailto:mahnam@ibb.ut.ac.ir">mahnam@ibb.ut.ac.ir</a>><br>> To: David van der Spoel <<a href="mailto:spoel@xray.bmc.uu.se">
spoel@xray.bmc.uu.se</a>><br>><br>><br>><br>><br>><br>> I use ff G43a1 and I added 9 Na+ to my top file<br>> When I run grompp with pr.mdp it says:<br>> Program grompp, VERSION 3.3<br>> Source code file:
readir.c, line: 1131<br>> Fatal error:<br>> Not enough ref_t and tau_t values!<br>> Will you please tell me what I must do ?<br>><br>><br>> Thank you very much in advance<br>> Institute of Biochemistry and Biophysics (IBB)
<br>> Tehran University<br>> P.O.box 1417614411<br>> Tehran<br>> Iran<br>><br>><br>> --<br>> David.<br>> ________________________________________________________________________<br>> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
<br>> Dept. of Cell and Molecular Biology, Uppsala University.<br>> Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>>
phone: 46 18 471
4205 fax: 46
18 511 755<br>> <a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a> <a href="http://xray.bmc.uu.se/~spoel">http://xray.bmc.uu.se/~spoel</a><br>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
<br>><br><br><br><br><br>===========================================<br>| Itamar Kass<br>| The Alexander Silberman<br>| Institute of Life Sciences<br>| Department of Biological Chemistry<br>| The Hebrew University, Givat-Ram
<br>| Jerusalem, 91904, Israel<br>| Tel: +972-(0)2-6585194<br>| Fax: +972-(0)2-6584329<br>| Email: <a href="mailto:ikass@cc.huji.ac.il">ikass@cc.huji.ac.il</a><br>| Net: <a href="http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html">
http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html</a><br>============================================<br><br>----------------------------------------------------------------<br>This message was sent using IMP, the Internet Messaging Program.
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<br>-- <br><br>Tsjerk A. Wassenaar, M.Sc.<br>Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<br>Dept. of Biophysical Chemistry<br>University of Groningen<br>Nijenborgh 4<br>9747AG Groningen, The Netherlands
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