[gmx-users] Regarding free energy calculation

[Bratin Kumar Das]

Hi
   You can follow the link below
http://www.mdtutorials.com/gmx/umbrella/index.html

On Fri, Nov 1, 2019 at 10:40 AM Rakesh Mishra <rockinbhu at gmail.com> wrote:

> 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.
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