Re: define abf1 and abf2 for CM of water and CM of molecule

From: Chris Chipot (
Date: Wed Dec 21 2005 - 12:18:36 CST


if you look again at your input file, you will see that you have asked
the ABF module to not apply any bias:

abf applyBias no

either you change it to yes, or remove that command line. By default,
ABF will apply a bias, which incidentally, is what it is meant to do.


Chris Chipot, Ph.D.
Equipe de dynamique des assemblages membranaires
Unité mixte de recherche CNRS/UHP No 7565
Université Henri Poincaré - Nancy 1 Phone: (33) 3-83-68-40-97
B.P. 239 Fax: (33) 3-83-68-43-87
54506 Vandoeuvre-lès-Nancy Cedex


      To sin by silence when we should protest makes cowards out of men
                                                    Ella Wheeler Wilcox

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