Monday, September 8, 2008

write pdb file from dcd trajectory

mol load psf yourprotein.psf dcd yourprotein.dcd

set nf [molinfo top get numframes]

for { set i 0 } {$i < $nf } { incr i } {
set sel [atomselect top protein frame $i]
$sel writepdb $i.pdb
}

/* ============================== */
want to convert NAMD binary out to pdb file?
just wrong 0 step namd simulation. :-)

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