From owner-chemistry@ccl.net Sun Jul  5 06:12:00 2009
From: "Chaofu Wu xiaowu759()hotmail.com" <owner-chemistry-*-server.ccl.net>
To: CCL
Subject: CCL: atom types of OPLS-AA
Message-Id: <-39691-090705061054-21975-j8vfNZdFNQKVuSPJuCmdEw-*-server.ccl.net>
X-Original-From: "Chaofu  Wu" <xiaowu759*|*hotmail.com>
Date: Sun, 5 Jul 2009 06:10:51 -0400


Sent to CCL by: "Chaofu  Wu" [xiaowu759]~[hotmail.com]
Dear ccl users,
  I want to study polyamide using OPLS-AA force field. But for the residues, -CH2-C(=O)-NH-CH2, I can not find suitable atom types for C, H, atoms on both sides. I wonder whether OPLS-AA can model this kind of polymers. Could you give me the answer? If it is, what are they? Thank you for attention!
 
Best regards,
Chaofu Wu