[gmx-users] Snapshot taken under certain condition

[Arik Cohen]

Thanks for all your help and rapid response.

Arik

Justin A. Lemkul wrote:
>
>
> Arik Cohen wrote:
>> Dear users,
>>
>> Is there a way(in the mdp file) to take a snapshot of only the 
>> C-alpha atoms along a trajectory if certain condition are met(tested 
>> every time a snapshot needs to be taken) ?
>>
>
> No, but you could probably script it after the trajectory is run, 
> using whatever analysis tool is appropriate to evaluate your 
> condition, then trjconv to dump out the appropriate frame.
>
> -Justin
>
>> Thanks
>>
>> Arik
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