Closed GoogleCodeExporter closed 9 years ago
Seems to me as a good option for workaround. What is missing for bonded
interactions?
sorry for typos, if any - sent from my Andreid mobile
Original comment by abruk...@googlemail.com
on 11 Nov 2013 at 10:23
How does dl_poly generate exclusions? Only from the bonds, angles and dihedrals
directive in MOLECULES block or are there other ways, too?
Original comment by christop...@gmail.com
on 12 Nov 2013 at 12:13
Gromacs has a variable, which defines how many "bonds" away an atom is
excluded. Does dlpoly have something similar?
Original comment by christop...@gmail.com
on 12 Nov 2013 at 4:18
Original comment by christop...@gmail.com
on 12 Nov 2013 at 8:40
This issue was updated by revision a13b5f11e021.
Original comment by christop...@gmail.com
on 17 Nov 2013 at 12:36
Exclusions are now implemented in the C++ dlpolytopology reader.
Original comment by christop...@gmail.com
on 17 Nov 2013 at 8:16
Fortran layer got removed, so this is fixed.
Original comment by christop...@gmail.com
on 18 Nov 2013 at 4:13
Original issue reported on code.google.com by
christop...@gmail.com
on 11 Nov 2013 at 9:32