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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