[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.

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