[gmx-users] How to construct PMF from the result of AFM pulling?
clarkzhy at tom.com
Thu Dec 7 16:22:42 CET 2006
I have some problems about how to construct PMF(Potential of Mean Force) from the result of AFM pulling function in Gromacs.After the "pull.pdo" file was obtained and the force was calculated using the scripts writen by Prof. , How can I get the PMF from the result(coordinate and force)?
In theory, Should I have to perform several AFM pulling simulation from different start points(conformation and velocity)??
Thanks!I will appreciate it if some one would help me solve this problem?
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