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Constraint violated by particle

From: Ahmad Reza Motezakker
Subject: Constraint violated by particle
Date: Tue, 12 Nov 2019 14:10:47 +0000

Dear EspressoMD users,

I am trying to simulate couple of polymer chains with SimplePore constraint. There is LJ interaction between the particles.

During the warmup process, I face "constraint violated by particle".

Could you pleas​ help me to get over this Error?

A part of my code is attached to this email.​ Thank you in Advance.

Best Regards,

Ahmad Reza

Attachment: espresso note 2.txt
Description: espresso note 2.txt

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