AMBER Archive (2006)

Subject: AMBER: charge neutralization with GB

From: Manish Datt (mdatt_at_imtech.res.in)
Date: Sun Mar 05 2006 - 11:27:34 CST

hi all

in the mail archive i came across a message where it was mentioned that it
is generally not recommended to use explicit ions for charge
neutralization with GB models.
my question is why is it so.

i have performed dynamics of some proteins in GB with charge neutralised
with explicit ions. in the light of above comment, how credible are these
dynamics results.

Manish Datt
Research Scholar
Bioinformatics Centre
Institute of Microbial Technology
Sector 39A, Chandigarh-160036
India.

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