What are the lines that are giving problems in 4.6?<br><br>Mark<div><br><div class="gmail_quote">On Thu, Feb 7, 2013 at 3:39 PM, Landry Charlier <span dir="ltr"><<a href="mailto:landry.charlier@univ-montp1.fr" target="_blank">landry.charlier@univ-montp1.fr</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
>From the manual page 133, the dihedral restraints want 4 atoms, funct=1, and 2 parameters (phi & dphi), i.e ai aj ak al funct phi dphi<br>
But when I start grompp, I have the error message "Incorrect number of parameters - found 2, expected 3 or 6 for Dih. Rest.."<br>
Is it a bug or dihedral restraints want a third parameter? which one, it's not pointed out neither in the manual nor in the webpage (<a href="http://www.gromacs.org/Documentation/How-tos/Dihedral_Restraints" target="_blank">http://www.gromacs.org/<u></u>Documentation/How-tos/<u></u>Dihedral_Restraints</a>)<br>
<br>
When I try with the dihedral restraints format of gromacs version 4.5.4 - i.e ai aj ak al type label phi dphi kfac power<br>
I have the same error message.<br>
Incorrect number of parameters - found 5, expected 3 or 6 for Dih. Rest<br>
<br>
<br>
It seems that grommp wants too many parameters. Indeed, it wants 3 or 6 parameters whereas the correct format for gromacs4.6 needs 2 parameters and the gromacs4.5.4 format needs 5 parameters.<br>
<br>
Thank you<br>
<br>
Landraille<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
<br>
-- <br>
gmx-developers mailing list<br>
<a href="mailto:gmx-developers@gromacs.org" target="_blank">gmx-developers@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-developers" target="_blank">http://lists.gromacs.org/<u></u>mailman/listinfo/gmx-<u></u>developers</a><br>
Please don't post (un)subscribe requests to the list. Use thewww interface or send it to <a href="mailto:gmx-developers-request@gromacs.org" target="_blank">gmx-developers-request@<u></u>gromacs.org</a>.<br>
</font></span></blockquote></div><br></div>