[gmx-users] Variation of box angles - regd

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Aug 28 17:53:10 CEST 2012

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.



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

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