[gmx-users] Can we abstract any frame from the trajectory file(trr) and save it as a gro file?

[wuxiao]

Dear gmx users,

  I have performed NPT MD simulations and achieved a trr file. Now I want to start another NVT MD simulations using some frame as the initial configuration. But I was puzzled by how to abstract any frame from the trajectory file and to save it as a gro file. Please give me some hints. Thank you very much!

 

best regards,

xiaowu

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