Hi all,
I tried to follow the tutorials that you provide on your website.
Coarse-grained models are not actually the biggest concern of my group, so I
have to start from the basis. As I actually understand the thing, I have to:
1. constructs an atomistic representation of the system, which will give to you
data to construct the coarse grained representation.
2. runs a molecular dynamic at the atomistic scale
3. obtains the radial distribution function for each of your CG beads
>From step 1 to step 3, I think that everything works fine. From these steps,
>how it is possible to find the actual interaction potentials of the CG beads
>to constructs a forcefield that GROMACS will understand? I am sorry that this
>question would seems trivial, but as I previously said, I am not familiar with
>these kind of experiments. Thank you,
Marc-André Dubois
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