cc_staff
163
edits
AMBER: Difference between revisions
Jump to navigation
Jump to search
no edit summary
No edit summary |
No edit summary |
||
| Line 34: | Line 34: | ||
==Loading AmberTools 21== <!--T:23--> | ==Loading AmberTools 21== <!--T:23--> | ||
Currently, AmberTools 21 is available on all clusters. AmberTools Provide the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP, sander.quick.cuda, and sander.quick.cuda.MPI. After loading | Currently, AmberTools 21 is available on all clusters. AmberTools Provide the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP, sander.quick.cuda, and sander.quick.cuda.MPI. After loading ambertools module set AMBER environment variables: | ||
source $EBROOTAMBERTOOLS/amber.sh | source $EBROOTAMBERTOOLS/amber.sh | ||