How to install Charmm36m to gromacs 2022?

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1

GROMACS version: 2022
GROMACS modification: No

Can anyone provide a protocol as to how to properly install the charmm36m force field from MacKerell Lab

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I copied the unzipped folder to C:\Program Files\GROMACS\share\gromacs\top
however when I use pdb2gmx I do not see the Charmm36m force field, only the Charmm36 force field.

2

The protein force field included in the release is CHARMM36m, which we consider the standard CHARMM force field at this point.

3

Which is the easiest way to verify that it is CHARMM36m instead of the original?

4

I made the port :)

But we record which files got converted in forcefield.doc, and you’ll find:

aminoacids:
-----------
- toppar_c36_jul22/par_all36m_prot.prm

as the first line. So we’re using CHARMM36m for the protein parameters.

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