ubuntu18_baseimage is a simple ubuntu18 image where all needed dependencies for Amber16 are installed as described in reference manual: https://ambermd.org/doc12/Amber16.pdf
The second image will need the following files and a valid Amber16 license to work:
- AmberTools17.tar.bz2 (it can be download free of charge);
- Amber16.tar.bz2 (it needs a valid license to be downloaded).
The first image can be build as follows:
docker build -tag ubuntu18_foramber16 .
It can take up to 20 minutes to build the second image:
docker build -tag ubuntu18_withamber16 .
docker save -o <path_to_image_tarfile> <image_name>
Transfer the <path_toimage_tarfile> to the new host, then:
docker load -i <path_to_image_tarfile>