> is there a way to change the trajectory produced by Anton supercomputer
> (file.dtr) to Amber trajectory (NetCDF)?
I may have missed replies, but I do not think anyone replied... In 2013,
my approach was to read the Anton trajectories and to convert to CHARMM
DCD format (which is simple and recognized by at least CPPTRAJ which can
convert to whatever). I did this using VMD pulling Anton data from it's
workdir where the "trajectories" were deposited. Replace the hard path to
your vmd instantiation and update the frame counts (beg/end).
--tec3
#!/bin/csh
/uufs/chpc.utah.edu/sys/pkg/vmd/vmd-std/bin/vmd -dispdev text sys0.cms <<EOF
animate read dtr workdir/run.stk beg 0 end 20000 waitfor all 0
animate write dcd GAAC3.dcd.1 beg 1 0
quit
EOF
/uufs/chpc.utah.edu/sys/pkg/vmd/vmd-std/bin/vmd -dispdev text sys0.cms <<EOF
animate read dtr workdir/run.stk beg 20001 end 40000 waitfor all 0
animate write dcd GAAC3.dcd.2 beg 1 0
quit
EOF
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Received on Wed Apr 24 2019 - 23:30:03 PDT
