[gmx-users] Urey Bradley Parameters in GROMACS

[PRADEEP VENKATARAMAN]

Hello everyone,

I have a pdb file of a solvent molecule for which I need to generate a .itp
file.

The solute is modeled using AMBER and I have topology file generated using
amb2gmx.sh.

However, the solvent molecule has Urey Bradley parameters specified.

Since, I am new to GROMACS I wish to learn as to how an .itp could be
created from scratch to incorporate the aforesaid parameters.

Thanks,

Pradeep
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