<div dir="ltr">Hi,<div><br></div><div>Following up here, I have a patch in gerrit (<a href="https://gerrit.gromacs.org/#/c/2976/">https://gerrit.gromacs.org/#/c/2976/</a>) that removes support for g87 and XYZ. The latter can be read with the GROMACS-supported VMD plugins, so native support is not needed (even if it works, which I doubt). </div>
<div class="gmail_extra"><br><div class="gmail_quote">On Mon, Apr 15, 2013 at 9:17 AM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">On 2013-04-15 01:01, Mark Abraham wrote:<br>
</div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
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There is one more aspect: .g87 is also the Amber ascii trajectory format (Peter Kollman borrowed a lot of code from Wilfred when was doing his sabbatical in Groningen). It would be good to hook up with Tom Cheathams trajectory reader (or merge that with our own efforts).<br>
</blockquote><div><br></div><div>AMBER's ASCII trajectory formats and their correspondence to naming extensions have changed a few times, and I never seem to get a straight picture of what was what when I Google for it. I'm kinda happy not supporting any of them natively. Not sure to which Cheatham tool you were referring, but ptraj in AmberTools and the VMD plugins used in GROMACS seem like these bases are pretty well covered without trying to fix or maintain whatever of our g87 / XYZ support actually works.</div>
<div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Anyway I haven't used this in a while but last time I did it still worked some way or another.</blockquote><div><br></div><div>Sounds like a worthwhile feature ;-)</div><div><br></div><div>Mark</div></div></div></div>