AMBER: concerning force fields ( to Karl Kirschner )

From: Adrien Delmont <adriendelmont.yahoo.com>
Date: Tue, 1 Jul 2008 01:04:45 -0700 (PDT)

Hi Dear Kirschner, Firstly I want to thank you for all valuable information. I will definitely consider all of them. I want to do different force fields that Amber does not provide files for my sturucture. And I am planning  to modify gaff and use TraPPE-UA and OPLS-AA force fields not a new force  field . And you  mentioned about an important point that developing a new force field will be very difficult and  can take years . So are they same things?  and also Do these operations have same procedure as you explained respectively. If not what are the differences between the two ? Could you please explain this? Many thanks in advance. Best regards, Adrien

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Received on Wed Jul 02 2008 - 06:07:33 PDT
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