Thanks a lot! I already tested ligpargen, but I was looking for the specific
solution coupling Schröedinger with the missing ffconv.py tool, also for
comparing the results with the different obtained opls forcefiels
> Il giorno 12 feb 2019, alle ore 17:12, Sam David ha
> scritto:
>
> have a
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
oplsaa force field is situated in /usr/share/gromacs/top (on my PC) folder in
gromacs format. If you want to generate oplsaa topology for non-protein
molecule it is very comfortable to use acpype (git clone
https://github.com/alanwilter/acpype.git) or Jorgensen server
Dear all,
I have been trying to obtain opls forcefield for small molecules.
On previous discussions I have red that 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
Dear all,
I have been trying to obtain opls forcefield for small molecules.
On previous discussions I have red that 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
