Thanx Tsjerk for the reply.<br>I checked the .trr files with gmxcheck and one of the .trr files is giving the error:<br><br>---------------------------------------------------------------------------------------------------------------------------<br>
Checking file PRO_DAH_10_NS.part0004.trr<br>trn version: GMX_trn_file (single precision)<br>Reading frame 0 time 10000.000 <br># Atoms 135496<br>Reading frame 1400 time 12800.001 <br>-------------------------------------------------------<br>
Program gmxcheck, VERSION 4.0.5<br>Source code file: trnio.c, line: 66<br><br>File input/output error:<br>Can not determine precision of trn file<br>----------------------------------------------------------------------------------------------------------------------------<br>
<br>Is there any way to recover this .trr file? Or do I need to re-run the simulation again?<br>Any suggestion is welcome.<br><br><br>Regards,<br><br><br>Anirban<br><br><br><div class="gmail_quote">On Fri, Dec 18, 2009 at 12:49 PM, Tsjerk Wassenaar <span dir="ltr"><<a href="mailto:tsjerkw@gmail.com">tsjerkw@gmail.com</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;">Hi Anirban,<br>
<br>
Check each trajectory with gmxcheck to see whether they are okay.<br>
<br>
Cheers,<br>
<br>
Tsjerk<br>
<div><div></div><div class="h5"><br>
On Fri, Dec 18, 2009 at 7:32 AM, Anirban Ghosh<br>
<<a href="mailto:reach.anirban.ghosh@gmail.com">reach.anirban.ghosh@gmail.com</a>> wrote:<br>
> Hi ALL,<br>
><br>
> I have 3 5 nano-seconds trajectory files (.trr) of a protein+lipid+water<br>
> simulation. I am using trjcat to join them into a single .trr file for<br>
> analysis and getting the following error:<br>
><br>
> -----------------------------------------------------------------------------------------------------------------------------------------------<br>
> Continue writing frames from PRO_10_NS.part0003.trr t=4604 ps,<br>
> frame=2302<br>
> -> frame 3990 time 7980.000 ps -> frame 3910 time 7820.000 ps<br>
> -------------------------------------------------------<br>
> Program trjcat, VERSION 4.0.5<br>
> Source code file: trnio.c, line: 66<br>
><br>
> File input/output error:<br>
> Can not determine precision of trn file<br>
> ------------------------------------------------------------------------------------------------------------------------------------------------<br>
><br>
> What should I do? Any suggestion is welcome.<br>
><br>
><br>
> Regards,<br>
><br>
> Anirban<br>
><br>
><br>
</div></div>> --<br>
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<br>
<br>
<br>
--<br>
Tsjerk A. Wassenaar, Ph.D.<br>
<br>
Computational Chemist<br>
Medicinal Chemist<br>
Neuropharmacologist<br>
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