I think ptraj can fix this for you, probably a lot of other tools as well, including VMD and Chimera with GUIs.
for ptraj I think making an input file similar to this.
parm [prmtop-file]
trajin [mdcrd-file] first last step
trajout [output file rst | ncrst | pdb | … ]
Should get the job done. Just replace the “first” with the frame you want, “last” with the same frame and I suppose you can skip “step” or set it to 1, which I suspect is the default. There is probably easier ways to do this as well though this was the first that came to mind using the tools included in amber.
// Gustaf
> On 12 Mar 2020, at 08:41, Sruthi Sudhakar <sruthisudhakarraji.gmail.com> wrote:
>
> Dear all,
> I have run a 500 ns production stage on a complex. ntwx = 1000 in the input
> file. How can I extract a frame at, say for eg at 100 ns of the production
> stage. There are a total of 250000 frames. Sorry if the question seems too
> trivial.
> Thanking you in advance.
> Sruthi
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Received on Thu Mar 12 2020 - 01:30:02 PDT
