AMBER Archive (2009)

Subject: RE: [AMBER] Lennard Jones potential

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Aug 03 2009 - 14:28:06 CDT

Hi Rizwan,

See extra_pts.f for the 1-4 interactions for Ewald / PME runs etc.
See ephi() in ene.f for the 1-4 interactions for GB etc.

See short_ene() in short_ene.f for VDW in Ewald / PME runs etc.
See short_ene_dip() in short_ene.f for VDW in Ewald / PME runs with
polarizable force fields.
See egb() in egb.f for the VDW interactions for GB runs.

Good luck,
Ross

> -----Original Message-----
> From: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On
> Behalf Of Rizwan Tai
> Sent: Monday, August 03, 2009 10:13 AM
> To: AMBER Mailing List
> Subject: [AMBER] Lennard Jones potential
>
> Hello, I am an undergraduate research student. I'm working with Amber 6
> and
> Amber 9. Can someone please help us find Lennard Jones subroutine. If
> anyone
> knows which file to look into, can you please help us?
> _______________________________________________
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