AMBER Archive (2006)

Subject: Re: AMBER: 1-4 interaction in AMBER8

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Wed Aug 30 2006 - 14:22:13 CDT

they are calculated using the list of atoms that define the dihedral angles.
the same atoms are used for vdw and ele.

Jianhui wrote:

>Hi AMBER users,
>
>I looked up in the AMBER8 manual but didn't find the description about how the 1-4 interaction are calculated. For the 1-4 interaction calculation, how does AMBER8 know which are the 1-4 pairs? Does the 1-4 pairs for 1-4 Lennard-Jones and 1-4 Coulomb interaction the same? Thanks a lot.
>
>Best regards,
>
>Jianhui
>tianj_at_rpi.edu
>2006-08-30
>
>
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