Hi Tsjerk,
I am very thankful to you for providing valuable suggestions.
Thank you very much.
On Tue, Aug 28, 2012 at 9:23 PM, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
> Hi Ramesh,
>
> You can calculate them from the box matrix, or you can let editconf do that
> by simply converting the trajectory (or a small part thereof) to PDB
> format. The angles are then in the CRYST1 record.
>
> Cheers,
>
> Tsjerk
>
> On Aug 27, 2012 2:15 PM, "ramesh cheerla" <rameshgrom...@gmail.com> wrote:
>
> Dear GMX users,
>
> I want to see how box angles are
> varying during my simulations, I have no idea where box angles will
> be stored in gromacs output files and how to extract them . Can
> anybody please help me in this regard.
>
>
>
> Thank you in advance
>
>
> Regards,
> Ramesh.
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