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.
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Received on Wed Nov 29 2006 - 06:07:48 PST
