On Thu, Apr 21, 2005, Dr. Yong Duan wrote:
>
> I think it makes sense to fix the 1-4 scaling factors and put them with
> the parm.dat file.
I have felt this way for some time. It just needs to be carefully
integrated
so that backwards compatibility is assured: we need to know what to do
with
an old prmtop file that lacks that information. Someone should just try
doing
this, and see how cleanly it can be accomplished.
....dac
Received on Wed Apr 05 2006 - 23:49:57 PDT
