[gmx-users] Hexagonal Phase modelling
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jun 10 17:21:43 CEST 2018
Den 2018-06-10 kl. 15:51, skrev Anjana Jayasinghe:
> Dear Gromacs users,
> I want to model a hexagonal phase and do MD simulations using gromacs. Could you please guide me to model a hexagoanl phase for my CiEj molecules?
> Thank you.
You can simulate any kind of periodicity that can be descirbed by a
triclinic box, that probably includes your data. Just give gromacs a
correct pdb file with CRYST1 entry.
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
More information about the gromacs.org_gmx-users