On Fri, Sep 23, 2016 at 4:28 AM, Andrew Bostick
<andrew.bostick1.gmail.com> wrote:
>
> I will use "ioutfm=1" in in file.
This is the correct option for generating NetCDF trajectories (as
stated in the manual).
>
> How to get/find the end time of an md simulation in amber?
Assuming your simulation doesn't crash, it's the value of the nstlim
variable times the value of the dt variable (which is in units of ps),
plus the initial time. You could also check your mdout file, the
second element of the second line of your restart file if using an
ASCII restart, or use 'ncdump -v time <restart file>' if using a
NetCDF restart.
-Dan
>
> Any help will highly be appreciated.
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Fri Sep 23 2016 - 05:30:04 PDT
