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From: | Guillaume Larsen |
Subject: | [ESPResSo] constraints ; interactions |
Date: | Tue, 26 Oct 2010 09:17:43 +0000 |
Dear all, I am implementing cell constraints with associated LJ and Tunable slip interactions. For information, the system is composed of 3 different types of polymers plus 1 type of particle. When I choose the standard 12-6 LJ potential, I get "segmentation fault" error at the beginning of the integration. Instead, if I choose a generic LJ potential (like 9-3LJ with appropriate parameters), I get the following message: background_errors 0 {082 add_bonded_force: bond type of atom 1 unknown} and also 1 bond broken between particles error message. I precise that the warm-up stage is processed correctly. Basically, the whole definition of the system - particles, polymer, thermostat, particles/polymers interactions... - works fine for an analysis without the use of cell constraints. Does anybody have a clue about the meaning of errors I get? Thank you very much in advance, Guillaume Larsen |
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