Hello, dears gmx-users! I posted a message, but didn't get a response, it was my first one, so may be I did something wrong. Anyway, here it is:
I've already run md and got pmf and it's correct. But I want to get not just a pmf of total force, but several profiles each of which corresponds to the different components. For example, one pmf - protein-protein interactions, another - protein-solvent interactions. Or another, one pmf corresponds to electrostatic, another to VdW etc. Should I change a program's code? If so, tell me please in what exactly program? Or may be gromacs have similar functions? Or is the another way to split pmf? Thank you for your attention!
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