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

Justin A. Lemkul jalemkul at vt.edu
Wed May 6 15:48:21 CEST 2009

wuxiao wrote:
> 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!

trjconv -dump


> best regards,
> xiaowu
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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