Hi Miguel!<br>the same thing happened to me just yesterday. My problem was that, for some reasons not worth to tell, some atoms were missing from one of my groups. I made a new index.ndx file and no errors were reported anymore. So my piece of advice is check your index file. I hope it helps,
<br>greetings,<br>MGiò<br><br><br><div><span class="gmail_quote">On 3/7/06, <b class="gmail_sendername">Miguel Ortiz Lombardia</b> <<a href="mailto:molatwork@yahoo.es">molatwork@yahoo.es</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;">
-----BEGIN PGP SIGNED MESSAGE-----<br>Hash: SHA1<br><br>Hi all,<br><br>I get this error from grompp:<br><br>Program grompp, VERSION 3.3<br>Source code file: readir.c, line: 1131<br><br>Fatal error:<br>Not enough ref_t and tau_t values!
<br><br>However, I do have three values for ref_t and tau_t, as many as groups<br>(I made an index.ndx file that I feed to grompp to support the<br>non-standard group ('Na')<br><br>This is my input:<br><br><br>title = 20ps Position-restrained MD
<br>cpp = /lib/cpp -traditional<br>define = -DPOSREF<br>integrator = md<br>dt = 0.002<br>nsteps = 10000<br>nstxout = 1000
<br>nstvout = 1000<br>nstlog = 1000<br>nstenergy = 50<br>nstxtcout = 50<br>xtc_grps = Protein<br>energygrps = Protein SOL Na
<br>nstlist = 10<br>ns_type = grid<br>rlist = 0.9<br>coulombtype = PME<br>rcoulomb = 0.9<br>rvdw = 0.9<br>tcoupl = Berendsen
<br>tc-grps = Protein SOL Na<br>tau_t = 0.1 0.1 0.1<br>ref_t = 300 300 300<br>Pcoupl = Berendsen<br>tau_p = 1.0<br>compressibility =
4.5e-5<br>ref_p = 1.0<br>gen_vel = yes<br>gen_temp = 300<br>gen_seed = 173529<br>constraints = all-bonds<br><br><br>Any clues?<br><br><br>Cheers,
<br><br><br>Miguel<br>- --<br>Miguel Ortiz Lombardía<br>Centro de Investigaciones Oncológicas<br>C/ Melchor Fernández Almagro, 3<br>28029 Madrid, Spain<br>Tel. +34 912 246 900<br>Fax. +34 912 246 976<br>email: <a href="mailto:molatwork@yahoo.es">
molatwork@yahoo.es</a><br>www: <a href="http://www.ysbl.york.ac.uk/~mol/">http://www.ysbl.york.ac.uk/~mol/</a><br>~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~<br>Je suis de la mauvaise herbe,<br>
Braves gens, braves gens,<br>Je pousse en liberté<br>Dans les jardins mal fréquentés!<br> Georges Brassens<br>-----BEGIN PGP SIGNATURE-----<br>Version: GnuPG v1.4.1 (GNU/Linux)
<br><br>iD8DBQFEDXRaF6oOrDvhbQIRAhByAJ40oJ5y86tdQPbFeMutns0yBqkCFACfaKwJ<br>37v80Jrxt3Vwsj2hHYilG4k=<br>=KzZb<br>-----END PGP SIGNATURE-----<br>_______________________________________________<br>gmx-users mailing list
<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please don't post (un)subscribe requests to the list. Use the
<br>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php
</a><br></blockquote></div><br>