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[ESPResSo-users] OPLS Parameters in ESPResSo
From: |
Jezreel Castillo |
Subject: |
[ESPResSo-users] OPLS Parameters in ESPResSo |
Date: |
Wed, 7 Aug 2013 07:12:53 +0800 |
I would like to ask how to convert OPLS parameters to a form usable in ESPResSo. For example, in dihedral angle interactions, OPLS has a four phase equation, tied to a group of four particles, however in ESPResSo, the equation is tied to a single particle within the dihedral angle. Thank you.
- [ESPResSo-users] OPLS Parameters in ESPResSo,
Jezreel Castillo <=