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-- Gustavo Seabra. On Fri, Aug 5, 2022 at 2:12 AM Juan Torras Costa <joan.torras.upc.edu> wrote: > Dear Gustavo, > > You can have access to MOPAC2016 using AMBER through the PUPIL v4.0 > interface (AMBER/PUPIL/MOPAC2016). Just yesterday a new version of PUPIL > was released. > > http://pupil.sourceforge.net/index.html > > Best regards, > > Joan > > Missatge de Gustavo Seabra via AMBER <amber.ambermd.org> del dia dv., 15 > de jul. 2022 a les 17:21: > >> Hi everyone, >> >> I wonder if anyone here could answer this enquiry... >> >> Thanks in advance! >> -- >> Gustavo Seabra. >> ________________________________ >> From: Gustavo Seabra <gustavo.seabra.gmail.com> >> Sent: Monday, July 4, 2022 8:00:02 PM >> To: Amber Developers List <amber-developers.ambermd.org> >> Subject: MOPAC >> >> Hi everyone, >> >> I got this inquiry from an Amber user, and I wonder if anyone here know >> of such development happening: >> >> <<-- >> Hey ... now that MOPAC2016 is open source, do you know if there are any >> plans to get it implemented for QM/MM in AMBER? I'm very interested in >> using PM6-D3H4 for SEQM/MM dynamics, but the only code that has it right >> now is NAMD. All our tooling at my new company is around AMBER, so it >> would be great if we could get MOPAC integration for QM/MM. >> -->> >> >> So, is there anyone working on that? >> >> All the best, >> Gustavo Seabra. >> _______________________________________________ >> AMBER mailing list >> AMBER.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber >> > > > -- > > -- > Joan Torras-Costa > > Department of Chemical Engineering > Universitat Politècnica de Catalunya > Escola d'Enginyeria de Barcelona Est (EEBE) > Campus Diagonal Besòs, Building I > C. Eduard Maristany, 10-14 08019 Barcelona > SPAIN > > Telf.: +34 93 413 7241 > > _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Mon Aug 08 2022 - 11:00:03 PDT