[gmx-users] PMF - Protein-Me​brane

dariush d.mohammadyani at gmail.com
Fri Aug 10 17:18:23 CEST 2012

Hi All,


I have a question regards to PMF:

Consider we are sure one protein will bind to membrane after 100ns in MD run
and make a complex. Instead of pulling protein to membrane to calculate PMF,
can we start from last configuration of protein-membrane complex and pull
out protein to separate them and calculate the PMF?


What would be the difference?


Thanks, Dariush

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