Added waterslab md.mdp
Began automate/water_sim.sh to generate a box of water, equilibrate it, and then run MD on it.
Updated water_sim output files
Water sim not working, doesn't believe that wall-atomtype is optional...
water_sim.sh nvt functioning, trajectories not invesitgated to check that particles are being pushed behind the wall
automate/water_sim.sh: NPT and NVT working, but doing bad things. Pressure coupling in x-y causes z to enlarge, no bueno.
Updated cluster_traj_submit.sh to use the recommended job bundling for catamount. Now cluster_traj_all.sh is out of date relative to this.
Committing changes that were probably not pushed...
Merge branch 'master' of github.com:jhaberstroh/gromacs-scripts into catamount
Saving local changes to cluster_traj_all.sh...
merged files