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fireball_12.11_amber_14_ambertools_15 [2017/03/04 01:01] dani |
fireball_12.11_amber_14_ambertools_15 [2017/03/04 01:19] (current) |
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- | -Compile amber14 with AmberTools 15 | + | * Compile amber14 with AmberTools 15 |
- | -Download Fireball library and script | + | * Download Fireball library and script [[http://fireball.ftmc.uam.es/make_fireball_qmmm.tar.gz]] |
- | -Download Fdata for HCNO | + | * Download Fdata for HCNO [[http://fireball.ftmc.uam.es/Fdata_HCNO.tar.gz]] |
- | -Change the config.h file and (make serial) in sander folder. | + | * Change the config.h file and (make serial) in sander folder. |
cd amber14 | cd amber14 |