Sir,
I actually have difficulty in finding out the frame number corresponding to
a particular nanosecond.
On Thu, Mar 12, 2020 at 1:30 PM Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
> 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 - 01:30:03 PDT
