Thanks a lot for the reply christoph I am facing some more problem in compiling VOTCA, as compiling without sqlite3 is not working and i figured out that i might need gromacs somewhere down the line
Could you please tell me how to force search location for gromacs and sqlite3 while building votca. I was trying the following command but now i want to specify location of gromacs and sqlite3 while building ./build.sh --prefix ~/votca --dev -DWITH_GMX=OFF tools csg kmc moo ctp ctp-tutorials ctp-manual cheers sudeep On Friday, September 29, 2017 at 11:04:49 PM UTC+2, Christoph Junghans wrote: > > Sudeep, > > > > 2017-09-29 9:02 GMT-06:00 Sudeep Maheshwari <[email protected] > <javascript:>>: > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > 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.
