AMBER Archive (2005)

Subject: Re: AMBER: intramolecular nonbonded interactions in AMBER force field

From: Vineet Pande (pande_vineet_at_hotmail.com)
Date: Thu Apr 21 2005 - 03:33:19 CDT

>>
>>Are intramolecular nonbonded interactions applied to atoms separated by
>>more than three bonds in the AMBER force field? I understand that 1,4
>>LJ and Coulomb interactions are calculated and scaled by 1/2 and 1/1.2,
>>respectively. But what about 1,5 and beyond? Are these interactions
>>included
>>
>yes
>
>>and, if so, scaled by any factor?
>>
>no
>
May I comment here and also ask one question related...When we say 1-4
nonbonded interactions its clear what it means but when we say 1-1 nonbonded
interactions (as it is in AMBER manual) what does it mean?
Cheerio
Vineet.

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