[gmx-users] Regarding free energy calculation

[Rakesh Mishra]

Dear Justin

If we have simple duplex of DNA initially and than we have separated
both the strand by constant velocity stretching. Hence now we have two
states, one is bound state in the initial phase ( both strands are binds
with each-other)
and other is unbound state ( both strands separated) in the final phase of
tine.
Now if we want to calculate the DElTA_G ( binding free energy ), than is
there
any way in GROMACS to obtain this or we need to take help from some other
mean.