Check out what groups you have. The values at tau_t and ref_t refer to those groups.<br>In the default case, in the demo, those refer to "protein" and "SOL" groups.<br><br><div><span class="gmail_quote">
On 2/14/06, <b class="gmail_sendername">David Mathog</b> <<a href="mailto:mathog@caltech.edu">mathog@caltech.edu</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;">
I'm still struggling with gromacs. The gmxdemo script runs.<br>So I tried to scale up a bit and chose more or less at random a<br>protein with some CYS-CYS bonds (H2MCM.PDB) and tried to plug it<br>into the gmxdemo script instead of "cpeptide".
<br><br>No Joy.<br><br>It eventually comes completely off the rails at the grompp pr section<br>where it comes up with this gem:<br><br>Fatal error:<br>Not enough ref_t and tau_t values!<br><br>pr.mdp has these lines:<br>
<br>tau_t = 0.1 0.1<br>ref_t = 300 300<br><br>which are straight from the gmxdemo script.<br><br>The 3.2 manual has no matches on "tau_t" or "ref_t".<br><br>It looks like the programs wants more columns on these lines, but
<br>how many, and why that many???<br><br>Thanks,<br><br><br>David Mathog<br><a href="mailto:mathog@caltech.edu">mathog@caltech.edu</a><br>Manager, Sequence Analysis Facility, Biology Division, Caltech<br>_______________________________________________
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