Better to use leap or cion to place ions electrostatically,
I think. Minimization will most likely have no effect on ion
placement except relieving steric contacts - long dynamics is
necessary and in any case cations will pair up with pairs of
waters (forming a ion-OW-ion-OW- box).
For the abrupt warming problem, you should include your mdin file.
Bill Ross
Received on Sun May 07 2000 - 01:54:57 PDT
