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<div>Thats what I thought. </div>
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<div>I recieved no response, but can jimmy rigg the entire thing to be processed on 4.6.7 from a 5.0.1 run, however it looses the temperature?</div>
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<div>Sincerely,</div>
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<div>STephan L. Watkins, PhD</div>
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Montag, 06. April 2015 um 02:51 Uhr<br/>
<b>Von:</b> "lloyd riggs" <lloyd.riggs@gmx.ch><br/>
<b>An:</b> gmx-users@gromacs.org<br/>
<b>Betreff:</b> Re: [gmx-users] trjconv_d errors</div>
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<div>Dear All,</div>
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<div>I recentlly installed gromacs 5.0.1 and a few months later 5.0.4 (hoping there was adifference) as I am using terra grid with a 5.0.1 install.</div>
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<div>Now, I noticed 2 things, trjconv_d no matter what I do can not read or convert the .trr file, even with simple -f in.trr -o out.trr or .xtc files. I was simply interested mostly as my secound problem is, if I include anything other than the standard energy groups of protein non_protein (say x y z), the performance goes from 20 ns a day for my system, to 10 ns a day. Thus I was going to rerun everything after the grid usage with -rerun and a changed energy group list just to make my life easier.</div>
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<div>I checked all of this with 4.5.6, 4.6.7 versions and the trjconv_d -f in.trr -o out.trr or out.xtc works fine. It will even process a standard 5.0.1 in.trr file, however if I then try any type of rerun (as expected) I get a version error.</div>
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<div>Is this a) a bug and b) a if so or not, does someone have a work around?</div>
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<div>I have also tried gmx_d trjconv, and I searched the mail archives, and the only thing anyone mentioned was a 64 bit, vs a 32 bit Linux install delema, stating if the files were larger than a few gigs, there was a memory error. I origionally thought this the error, however decided to run test first with small 100MB-2 G runs to test it, and this was not the problem.</div>
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<div>Sincerely,</div>
<div> </div>
<div>Stephan L. Watkins, PhD</div>
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