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.gmail.com> wrote:
>
> On 11/28/06, Gobind Singh Bisht <gsbisht1.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.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 29 2006 - 06:07:50 PST
