[gmx-users] Frames problem
Mark Abraham
Mark.Abraham at anu.edu.au
Mon Jun 16 08:53:47 CEST 2008
s lal badshah wrote:
> Hi All,
> I have MD simulation which crashed and I combine the frames with
> trjconv. Now the problem is that when I do analysis like that of Solvent
> accessible surface area, it showed that the incomplete frame . I use the
> gmxcheck with the following result
> d 1: 'Protein'
> 1695 out of 2854 atoms were classified as hydrophobic
> Reading frame 20 time 400.000
> WARNING: Incomplete frame: nr 28 time 560
Well, that probably means what it says. Go back and check whether the
inputs to trjconv were broken, and what the output from trjconv said.
Mark
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