Wrote histogrammer, not yet tested
More updates made to the histogrammer to allow interactive input, but still not tested (should use workstation to test)
Made updates without pulling first, novice mistake.
Merge branch 'catamount' of github.com:jhaberstroh/gromacs-scripts into catamount
Merge branch 'catamount'
cluster traj update
Merge branch 'catamount' of github.com:jhaberstroh/gromacs-scripts into catamount
Rudimentary AvTrajHist.py working
Changed LINCS order and iter to preserve accuracy but allow greater parallelization
Merge branch 'master' of github.com:jhaberstroh/gromacs-scripts into catamount
Updated cluster_equilibrate for catamount to account for the 16 ppn (instead of 4), relevant because of the new MPI access.
Made cluster_mdrun for catamount consistent with cluster_equilibrate. This is good.
Updated -h for cluster_mdrun
Fixed lincs-iter for eqstep and eqprep.mdp
Revised cluster_traj_all.sh to the full 16 catamount ppn
Terrible mistakes in the trajectory part of cluster_traj_all.sh (bad parentheses and old variable names) fixed, hopefully
Caught one more...
Merge branch 'catamount' of github.com:jhaberstroh/gromacs-scripts into hopper