A problem in ABF simulations

From: Azadeh Alavi (azade.alavi_at_gmail.com)
Date: Sat Nov 22 2014 - 05:50:03 CST

Dear NAMD users,

I have a system of membrane-protein and intend to do ABF simulations. In
one of the windows the positive ion is attracted to the negative residues
and stick to them till the end of the simulation, although I have increased
the cutoff and continued the simulation for more nanoseconds. Therefore,
only half of the window is sampled and half of the data in the '.count'
file is 0.

Your help would be greatly appreciated. Thanks a lot.


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