On Sat, Mar 04, 2017, Vishal Nemaysh wrote:
>
> Can any one help me for generating the .rst from a specific time point by
> using ptraj. please kindly tell me the command by which I can make this.
You can't do this completely, since there is velocity information in a
trajectory file. Typical use case:
parm ....
trajin md1.nc 554 554 1 (to get coordinates from the 554th time point)
trajout md1.554.rst7 restart (to save those coordinates in a new file)
go
One would then typically use these coordinates, and reqest random velocities
at the temperature of interest, in order to restart a trajectory.
...hope this helps....dac
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Received on Sat Mar 04 2017 - 13:00:02 PST
