[gmx-users] pulling force vs free energy

Vijayaraj vijayaraj81 at gmail.com
Wed Nov 16 15:26:13 CET 2011


What is the relation between pulling force and free energy of binding. can
we relate the maximum pulling force with the free energy. for example, 2
systems has the maximum pulling force and free energy as below from
umbrella sampling and g_wham analysis,

                      max. force        free energy
system 1          1470                42
system 2          1647                32

system 2 has higher pulling force than system 1 and the free energy result
is different from this trend.

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