[gmx-users] Obtaining opls forcefield

Valerio valerio.ferrario at gmail.com
Tue Feb 12 16:53:43 CET 2019


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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