yong
are you referring to
call init_extra_pts
in mdread.f ??
I put in this horrible hack because the valence terms involving extra_pts
needed to be stripped---really all this needs to be in leap or successor
so I am repacking the excluded atom list there as well
Tom
On Thu, 10 Nov 2005, Yong Duan wrote:
>
> Just realized that sander actually re-constitutes the excluded list from
> bond, angle, dihedral lists. Any insightful comments why it has to be
> done
> this way? What will happen if I disable this (i.e., remove the code)? I
> need
> some flexibility in the excluded list but don't like to break too many
> things :(.
>
>
> yong
>
Received on Wed Apr 05 2006 - 23:49:50 PDT
