Hi Simon,
You can use cpptraj to do that. Something like:
"parm topology_name
trajin trajectory_name
trajout traj.inpcrd restrt"
should do the trick. You can also choose the frames you want by
specifying them in trajin. Amber manual describes these commands in
detail as well.
best,
batuhan
On 01/22/18 12:29, Simon Kit Sang Chu wrote:
> Hi every user,
>
> I have my simulation completed and outputted the trajectory to mdcrd. I
> want to output several frames to inpcrd to restart another run. However,
> VMD does not seem to output the correct format and the VMD-outputted
> crd file is unreadable by AMBER.
>
> Is there anyone suggesting an alternative / a solution in VMD? I cannot
> imagine this has to be done by writing my own script.
>
> Thanks in advance.
>
> Regards,
> Simon
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Received on Mon Jan 22 2018 - 05:30:03 PST
