How to generate gromacs topology

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1

GROMACS version:
GROMACS modification: Yes/No
Here post your question How to generate gromacs topology from PRM and PDB/PSF file?
I have PDB and PSF of a molecule with PRM file. How to make ITP and TOP from that?

2

Hi,
An alternative is to use gmx pdb2gmx -f PDB file -ff forcefield to generate the topology file.

gmx pdb2gmx will search for force fields by looking for a forcefield.itp file in subdirectories <forcefield>.ff of the current working directory and of the GROMACS library directory as inferred from the path of the binary or the GMXLIB environment variable. By default the forcefield selection is interactive, but you can use the -ff option to specify one of the short names in the list on the command line instead. In that case gmx pdb2gmx just looks for the corresponding <forcefield>.ff directory.

Best regards
Alessandra