BENCHMARK SYSTEMS, Desmond/GPU Performance
DESRES/TR--2014-01

Desmond/GPU 1.2.2 configuration files and structure files (*.cms) for
the four benchmark systems ApoA1, DHFR, P38C, and P38S.

ApoA1:
        apoa1.cms       
        cfg             

DHFR:
        5dhfr_charmm_eq.cms
        cfg

P38C:
        cfg
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_0-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_1-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_2-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_3-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_4-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_5-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_6-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_7-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_8-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_9-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_10-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_complex_9_replica_11-in.cms

P38S:
        cfg
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_0-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_1-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_2-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_3-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_4-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_5-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_6-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_7-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_8-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_9-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_10-in.cms
        p38_rmsd_2005_2b3619e_5c6fcaf_solvent_10_replica_11-in.cms
