[gmx-users] Variation of box angles - regd

[ramesh cheerla]

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 <tsjerkw at 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" <rameshgromacs at 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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