pcrd_convert
pcrd_convert converts multiple .dcd files generated by parallel I/O MD simulations.
This example converts .dcd files from parallel I/O MD simulation of crowding condition with villins (see tutorial 3.1).
[INPUT]
psffile = villin_crowding.psf
reffile = villin_crowding.pdb
[OUTPUT]
pdbfile = prod.pdb
trjfile = prod.dcd
rmsfile = prod.rms
trrfile = prod.trr
[TRAJECTORY]
trjfile1 = run().dcd
md_step1 = 10000
mdout_period1 = 500
ana_period1 = 500
[SELECTION]
group1 = all
[FITTING]
fitting_method = NO
[OPTION]
check_only = NO
trjout_format = DCD
trjout_type = COOR+BOX
trjout_atom = 1
pbc_correct = NO