Hi, Amber users.
I am trying to simulate a solution of propylene glycol and water,
using TIP5P model. I put 6000 water molecules and 637 pg molecules in
a box of 60 A.
When I run the minimization step, EEL value rises too much and
minimization fail.
Minimization step is carried out with a cut off of 15 A.
I ask you some suggestions and advices, please.
Thank you!
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Received on Tue Jan 25 2011 - 08:30:02 PST
