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# This script is to create an average structure for each interval of a trajectory.

# prmtop file
parm /mindstore/home33ext/kscopino/5JUP_PROTOCOL/PIGGYBACKING/COD1_C2_1S_50PS/5JUP_GC_179C_nowat.prmtop

# experimental neutral dynamics trajectory
trajin /mindstore/home33ext/kscopino/5JUP_PROTOCOL/PIGGYBACKING/COD1_C2_1S_50PS/COD1_C2_9/mdcrd_nd_9_strip 1 10000

# make average
average avg_struct.rst restart
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Page last modified on July 14, 2020, at 04:25 PM