[gmx-users] initial position?

Sadeghi, Ehsan Ehsan.Sadeghi at afcc-auto.com
Mon Mar 9 22:07:08 CET 2015


Hi,

I have simulated ionomer on Pt surface. I freezed  the Pt and put 5 ionomer polymers on top of it in a distance. Depends on the position of these polymers, it will get different results. Is it possible? For some cases, the ionomer backbone goes out of the box and interact with the neighbor molecules. How can I solve this problem?

Kind regards,
Ehsan
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