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

[Anirban Ghosh]

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     
-------------------------------------------------------
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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