<div dir="ltr">Hi Erik,<br><br>how much more work is left for the CMAP part? Can one help?<br><br>Roland<br><br><div class="gmail_quote">On Thu, Jul 17, 2008 at 3:49 PM, Erik Lindahl <span dir="ltr"><<a href="mailto:lindahl@cbr.su.se">lindahl@cbr.su.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div dir="ltr">Hi Roland,<div><br></div><div>We have it working with pdb2gmx, but not CMAP yet, but we're working on integrating that. I'll see what I can do about pushing things into CVS when I'm back from vacation in two weeks!</div>
<div><br></div><div>Cheers,</div><div><br></div><div><font color="#888888">Erik</font><div><div></div><div class="Wj3C7c"><br><br><div class="gmail_quote">On Thu, Jul 17, 2008 at 6:57 PM, Roland Schulz <<a href="mailto:roland@utk.edu" target="_blank">roland@utk.edu</a>> wrote:<br>
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<div dir="ltr">Hi all,<br><br>who has the CHARMM FF working with Gromacs? I heard that Erik's group has something working. Is this correct? My impression is that all force terms are supported in the CVS version including CMAP. But obviously converting the files in the itp format is not trivial. Which converters do you use? <br>
I think it would be great to extend the CHARMM FF page <a href="http://wiki.gromacs.org/index.php/CHARMM" target="_blank">http://wiki.gromacs.org/index.php/CHARMM</a> to be in a similar way as the Amber FF site is, so that not everyone is reinventing the wheel. I'm welcome to help in that effort. <br>
<br>Of course in the long run it should be done by the new pbd2gmx but my impression is that it will still take quite a long time.<br><br>Roland<br></div>
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</blockquote></div><br><br clear="all"><br>-- <br>Center for Molecular Biophysics ORNL/UT <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>
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