Frequently Asked Questions
- GROMOS licence for CPMD
- GROMOS force fields
- GROMOS on Mac OS X
Q: Which GROMOS licence do I have to buy to run mixed classical/CPMD simulations?
A: In order to be able to run QM/MM simulations using CPMD you need to purchase the GROMOS96 licence. The GROMOS96 program will be available after we have received your payment.
Q: Where can I download GROMOS force-field files?
A: After registration as a GROMOS user the force field files can be downloaded free of charge.
Q: Where can I find files for the GROMOS force fields in GROMACS format?
A: Translations of the standard GROMOS force fields in GROMACS format can be found on the GROMACS web page; note that the GROMOS community does not provide force-field files in GROMACS format, does not guarantee the accuracy of these translations, and is not responsible for the correctness of the GROMOS force-field implementation in GROMACS.
Q: Where can I find a GROMACS translation for the GROMOS 56A6_CARBO force field [Hansen & Hunenberger, J. Comput. Chem. 32 (2011) 998] ?
A: See contribution 56a_CARBO4GROMACS.rar under /Downloads/User_contributions/Force_fields on the GROMACS web page for generating 1-4-linked beta-D-glucopyranose chains with 56A6_CARBO
Q: Can I install GROMOS on Mac OS X?
A: Yes, one can also install GROMOS on a Mac OS X. You may need to install your own version of the gcc compiler and all the necessary libraries yourself, though.