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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