[gmx-users] Obtaining opls forcefield

[Sam David]

have a look maybe helpful if your molecule is hydrocarbon
http://zarbi.chem.yale.edu/ligpargen/



On Tue, Feb 12, 2019 at 9:54 AM Valerio <valerio.ferrario at gmail.com> wrote:

> Dear all,
>
> I have been trying to obtain opls forcefield for small molecules.
>
> I tried to follow the suggestions of previous gmx-users discussion
>
> E.g.
>
> https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2014-July/090464.html
>
> One possibility is to use the Schröedinger ffld server in combination with
> ffconv.py script to generate the topology.
>
> Unfortunately the link for the ffconv.py link is expired and it is not
> possible to download it anymore.
>
> Can someone please send me the script or mailing me the code?
>
> Thanks a lot in advance.
>
> Valerio
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