AMBER: Difference between revisions

30 bytes added ,  5 years ago
no edit summary
mNo edit summary
No edit summary
Line 11: Line 11:


<!--T:10-->
<!--T:10-->
Non-GPU versions
'''Non-GPU versions'''
  module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a
  module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a
or
or
Line 17: Line 17:


<!--T:11-->
<!--T:11-->
GPU versions:
'''GPU versions'''


  <!--T:12-->
  <!--T:12-->
Line 38: Line 38:


<!--T:14-->
<!--T:14-->
In examples below, change the module load command to one above if you wish to use the newer version.
In examples below, change the <tt>module load</tt> command to the one shown above if you wish to use the newer version.


<!--T:4-->
<!--T:4-->
rsnt_translations
56,437

edits