...
> the way I originally read Yong's mail, it sounded to me like
> he was saying,
> and proposing, that we could drop the excluded list from the
> prmtop.
Bob, I really have to clarify this.
Quite contrary, I did not propose anything. Let me quote my original
e-mail
here to make sure we are talking about the same e-mail.
******************
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 :(.
***************
Did I "propose" anything? Tell me, line by line, which part made you think
that way.
Let me re-iterate. Sander already droped the excluded list from prmtop
since
AMBER 7.0 when extra-points were added.
Bob, I thought you were going to crucify the guy who did this. Are you
still
going to do this? It is now even easier since Tom is a lot closer to you
than I am. Tom, be careful, hide somewhere. I don't think it is wise to
let
you see Bob any time soon. We really do not want bad things happen to you.
Now, back to my original question. Can somebody out there tell me how can
I
add a pair of atoms on the excluded atom list and expect sander to use it?
I
do not want to change the code for this simple thing (I am also terrified
that somebody may crucify me if I touch the code).
By the way, does it really have to be this hard to get a little "user
support" from our own team? This is awful!
Yong
Received on Wed Apr 05 2006 - 23:49:48 PDT
