AMBER Archive (2006)

Subject: Re: AMBER: How to specify user defined force fields or its parameters in amber??

From: Gobind Singh Bisht (gsbisht1_at_gmail.com)
Date: Tue Nov 28 2006 - 10:40:53 CST

hi,
   well actuallly what i want to do is drop all the terms except for lennard
jones for some of the atoms in the system. is thr a similar short cut way of
achieving that??
thanx a lot
cheers

On 11/28/06, Gustavo Seabra <gustavo.seabra_at_gmail.com> wrote:
>
> On 11/28/06, Gobind Singh Bisht <gsbisht1_at_gmail.com> wrote:
> > isn't it possible that u make Kr=0 for all the bonds or few bonds in my
> system.
> ^^^^^^^
>
> For that, all yoou need is to look for the section in the parmtop file
> with the header:
>
> %FLAG BOND_FORCE_CONSTANT
>
> and then set the values you want to zero, no programming needed. (Make
> sure you don't change the formatting)
>
> Gustavo.

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