[gmx-users] Obtaining opls forcefield

[Valerio]

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 <samdav800 at gmail.com> ha scritto:
> 
> 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
>> --
>> Gromacs Users mailing list
>> 
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>> 
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>> 
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.