[gmx-users] Inaccurate time frame

Hsin-Lin Chiang jiangsl at phys.sinica.edu.tw
Tue Dec 7 10:24:11 CET 2010


  Hi, Mark,

I'll adopt your suggestion.
Thank you for your reply again.

Sincerely yours,
Hsin-Lin
> On 7/12/2010 6:01 PM, Hsin-Lin Chiang wrote:
> >/
> />>/  Ah, sorry, I didn't read you well enough.
> />>/
> />>/  I've just seen that GROMACS 4.5 introduced trjconv -round to address
> />>/  this kind of issue. I suppose you will find trjconv -round -split
> />>/  works for you.
> />>/
> />>/  Mark
> />/  Hi, Mark
> />/
> />/  Thank you for your suggestion.
> />/  I'm sorry that my version is 4.0.5
> />/  I think I can use -sep and write a shell script to combine frames
> />/  together.
> /
> That, or make a local installation of 4.5.3 and just use trjconv from
> it. There's no issue with trajectory compatibility of which I am aware.
>
> Mark
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