[gmx-users] which methods would be better?

Albert mailmd2011 at gmail.com
Fri Jan 17 15:28:04 CET 2014


I am going to study a peptide affinity different lipids. It may have 
different binding affinity to different lipids. I am just wondering 
which methods would be better for such kind of purpose in Gromacs? The 
calculation of PMF by pulling code? or one dimention CV (peptide 
distance towards lipids center mass) metadynamics? or the funnel 
metadyanmics? or other methods would be better?

thank you very much.


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