[gmx-users] Obtaining opls forcefield
samdav800 at gmail.com
Tue Feb 12 17:12:27 CET 2019
have a look maybe helpful if your molecule is hydrocarbon
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
> 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.
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