[gmx-users] Problem while extending simulation time by tpbconv

[Justin A. Lemkul]

Quoting Anirban Ghosh <anirbanz83 at yahoo.co.in>:

> Hi All,
> First thanks Xavier for your suggestion regarding trjconv. I am facing a
> problem while extending the simulation for another 5 Nano seconds using the
> command tpbconv. I am now getting the following error message:
>
> Using frame of step 4785000 time 59800
> Opened 417_30NS_2.edr as double precision energy file
> Reading frame    490 time 59700.000
> Last frame read 499
> WARNING: Incomplete frame: nr    500 time 59790.000

Use tpbconv with the -time option to select a complete frame.

-Justin

> -------------------------------------------------------
> Program tpbconv_d, VERSION 3.3
> Source code file: enxio.c, line: 395
> Fatal error:
> Could not find frame with time 59800.000455 in '417_30NS_2.edr'
> -------------------------------------------------------
>
> What should I do to rectify this problem and continue the simulation further?
> Any suggestion is welcome. Thanks.
>
> Cheers,
>
>
>   Anirban Ghosh
>   M.Tech Bioinformatics
>   University of Hyderabad
>
> Project Trainee
> Centre For DNA Fingerprinting & Diagnostics (CDFD)
> Hyderabad
> India
>
>
> ---------------------------------
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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