Stage 3 - simulate, NVT, T = 10 K, small timesteps, and restraints on solute heavy atoms, 12ps Stage 2 - simulate, Brownian Dynamics NVT, T = 10 K, small timesteps, and restraints on solute heavy atoms, 100ps Launch directory: /home/ujj/desmond_md_job_4cod_2i_4_12_17 Structure input file: desmond_md_job_4cod_2i_4_12_17.cms Multisim script: desmond_md_job_4cod_2i_4_12_17.msj $SCHRODINGER/utilities/multisim -PROJ /home/ujj/vatsal/VATSAL_SIMULATION.prj -DISP append -VIEWNAME desmond_molecular_dynamics_gui.MDApp -JOBNAME desmond_md_job_4cod_2i_4_12_17 -HOST localhost -maxjob 1 -cpu 18 -m desmond_md_job_4cod_2i_4_12_17.msj -c desmond_md_job_4cod_2i_4_12_17.cfg desmond_md_job_4cod_2i_4_12_17.cms -mode umbrella -o desmond_md_job_4cod_2i_4_12_17-out.cms -ATTACHED
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