Hi,
may be you can compute your geometric parameters (?) then use "filter"
command in cpptraj.
You can check amber manual and do google search "filter cpptraj
archive.ambermd.org"
Hai
On Fri, Sep 2, 2016 at 11:05 AM, Anna Cebrian Prats <Anna.Cebrian.uab.cat>
wrote:
> Hi amber users,
>
>
> I would like to know, If cpptraj can choose which frame along the
> trajectory present a specific geometric parameters. My objective is to
> select the best snapshot following a specific geometric parameters.
>
>
> How can achieve this objective?
>
>
> Thank you very much for your help
>
>
> Anna
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Received on Fri Sep 02 2016 - 10:00:02 PDT
