On Mon, May 28, 2018 at 06:32 Marco Oestereich <[email protected]> wrote:
> Am Donnerstag, 24. Mai 2018 19:27:06 UTC+2 schrieb Christoph Junghans: > >> On Thu, May 24, 2018 at 11:24 AM, Marco Oestereich <[email protected]> >> wrote: >> > Hi there, >> > >> > is there a possibility to calculate the Thermodynamic Force in the >> newest >> > version? Until verion 1.3. it was possible but only with Gromacs. I >> would >> > like to calculate the force with espressopp. >> Nope, I am sorry, we didn't had enough man power to support that feature. >> > > Ok, this is very unfortunate. Is there any possibility to download the > tutorial files for the Thermodynamic Force. So I would try so install the > old version of votca in a docker container with appropirate dependecies. So > it would be nice if you could give me a hint, which versions of boost and > fftw had been compatilbe for votca version 1.3.1 (and maybe the correct > compiler). > I think there is nothing special, just use an 2016 gcc compiler and slightly old boost version. Fftw3 had the same API for the last 10 years, so that shouldn’t be a problem! Christoph > > > Best Marco > >> >> Christoph >> > >> > Best regards >> > Marco >> > >> > -- >> > You received this message because you are subscribed to the Google >> Groups >> > "votca" group. >> > To unsubscribe from this group and stop receiving emails from it, send >> an >> > > email to [email protected]. >> > To post to this group, send email to [email protected]. >> > > Visit this group at https://groups.google.com/group/votca. >> > For more options, visit https://groups.google.com/d/optout. >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. > -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
