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Hi, Mark,<br>
<br>
I'll adopt your suggestion.<br>
Thank you for your reply again.<br>
<br>
Sincerely yours,<br>
Hsin-Lin<br>
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<pre>On 7/12/2010 6:01 PM, Hsin-Lin Chiang wrote:
><i>
</i>>><i> Ah, sorry, I didn't read you well enough.
</i>>><i>
</i>>><i> I've just seen that GROMACS 4.5 introduced trjconv -round to address
</i>>><i> this kind of issue. I suppose you will find trjconv -round -split
</i>>><i> works for you.
</i>>><i>
</i>>><i> Mark
</i>><i> Hi, Mark
</i>><i>
</i>><i> Thank you for your suggestion.
</i>><i> I'm sorry that my version is 4.0.5
</i>><i> I think I can use -sep and write a shell script to combine frames
</i>><i> together.
</i>
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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