are you saying that sander ignores the exlusion list in the prmtop?
if so, I think that is not a good idea and should have been widely
discussed before being done. It would break a few things that
I have done. Where is that code?
carlos
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
