[gmx-users] Variation of box angles - regd
tsjerkw at gmail.com
Tue Aug 28 17:53:10 CEST 2012
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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