Re: problems in sander

From: Bill Ross <>
Date: Sun 7 May 2000 01:54:57 -0700 (PDT)

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
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