Sudeep,
2017-09-29 9:02 GMT-06:00 Sudeep Maheshwari <[email protected]>: > Hello All > > I am new to installing and using VOTCA. We dont use Gromacs in our group and > i have to make VOTCA work with LAMMPS. > Could someone please point out how to use build.sh to make Votca on my > computer with LAMMPS as the MD software and not Gromacs. You can compile VOTCA with -DWITH_GMX=OFF to disable the gromacs backend. > Any hint in this direction would be very valuable. Also if someone could > comment on how good does LAMMPS work with VOTCA would be nice. There are a couple of tutorials using LAMMPS in csg-tutorials: $ ls -d */*lammps* spce/ibi_lammps spce/realtime_lammps spce/re_lammps And searching the mailing also has some help on LAMMPS: <https://groups.google.com/forum/#!searchin/votca/lammps%7Csort:relevance> there are even a version of the propane/ibi tutorial for LAMMPS: <https://groups.google.com/d/msg/votca/FeFw9xYgU6k/aQoDwIqGwaoJ> If you need something specific just ask! Christoph > > cheers > sudeep > > -- > 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.
