[gmx-users] How to create non-standard rediue file in GROMACS?

[Jian Zou]

Daan wrote:
> The statement that PRODRG only uses the GROMOS-87 force field is not
> correct. It can produce ffgmx, but also GROMOS96 force field files for
> small molecules.
> 

Daan should be right.

*gmx.itp should be the topology for ffgmx.

please forgive me, junwang.


Regards,

Jian Zou