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When running jobs for either AMBER12 or AMBER14 use the easy setup and submission scripts provided on the login node. Just execute qamber_12 or qamber_14. Examples of what the scripts look like are provided below.
EXAMPLE1 Enter project name/shortname CHEM0100 Enter input file (with .in extension) test.in Enter parameter and topology file prmtop Enter coordinate file inpcrd What do you wish to run SANDER, PMEMD or MDGX SANDER Enter number of nodes on which to run job 1 Enter total walltime (hour:minute) 2:00 Enter email address testing@gmail.com Generated pbs file for test Do you wish to submit job to cluster (y/n) y
EXAMPLE2 (TAKE NOTE OF THE EMPTY SPACES) Enter project name/shortname CHEM0100 Enter input file (with .in extension) test.in Enter parameter and topology file Enter coordinate file What do you wish to run SANDER, PMEMD or MDGX Enter number of nodes on which to run job Enter total walltime (hour:minute) Enter email address testing@gmail.com Generated pbs file for test Do you wish to submit job to cluster (y/n) y