<[email protected]...>, [email protected]..., Yuchong Shao
<[email protected]...>
Very good analysis Trung - I think that is the correct diagnosis
of Andrew's difficulties. I think Trung has verified my
earilier point that it should be
possible to run NPT on a system with a rigid, immobile
portion w/out needing fix rigid.
I will add a cautionary note to the fix npt doc page
in the section about using "dilate partial", to indicate
the user should carefully define the right temperature
compute to use with the partial system.
Steve