On Mon, Feb 25, 2019 at 10:54 AM Antoine MARION <amarion.metu.edu.tr> wrote:
> Dear Amber Community,
>
> However, I faced a first little issue when calculating distances with
> PBCs: i.e., minimum image is not applied and the “image” option seems to be
> ignored.
>
Hi again, I've double-checked pytraj's code and ran some tests and its code
seems to work fine.
Could you please send me (may be offline):
- small trajectory + its topology file (prefer non-confidential files).
- your exact command
- your expectation (why you think the minimum image is not applied (e.g: by
comparing to cpptraj or by visualizing? ...).
Thanks.
Hai
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Received on Mon Feb 25 2019 - 16:00:02 PST
