[gmx-users] fudgeLJ?

Berk Hess gmx3 at hotmail.com
Mon Aug 30 11:29:54 CEST 2004

>From: "nicolas Dinter" <dinter at rc.m-kagaku.co.jp>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>Subject: RE: [gmx-users] fudgeLJ?
>Date: Mon, 30 Aug 2004 18:19:55 +0900
>Dear Berk,
>I use my own force field, so in my itp file I generated a pair list, but
>normaly using genpair=yes (i.e gromacs takes the 1-4 pairs in the list) and
>fudgeLJ must change the 1-4LJ energy; unfortunatly not.
>Do you know why?

I told you why in my previous mail.
fudgeLJ only has an effect on the generated pair parameters.
Pair parameters that are already present in the forcefield are
not affected by fudgeLJ.


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