[gmx-users] Running long MD simulation

[Justin Lemkul]

On 2/1/18 12:45 PM, Ahmed Mashaly wrote:
> Hi
> I want to run a long MD 200 ns, but I want the outputs of every 5 ns to be saved separately ... Is there a way or a script to do this? Kind Regards,Ahmed
>
It should be very simple with a bash loop and making use of mdrun 
-noappend so you avoid naming clashes. People have done this before and 
posted to the list; just Google within the archive.

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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