|Subject:||Re: [ESPResSo] pbc wrap & folded/unfolded coordinates|
|Date:||Tue, 1 Jun 2010 22:09:18 -0400|
- About the VMD error message: edit the file ESPRESSO_DIRECTORY/scripts/vmd_plg.tcl and, around line 136, replace
lassign $v1 x y z q
lassign $v2 u v w p
return [expr $x*$u + $y*$v + $z*$w + $p*$q]
lassign $v1 x y z
lassign $v2 u v w
return [expr $x*$u + $y*$v + $z*$w]
There's probably a better way than hacking it like this, but I've never gotten into trouble for doing that!
- For movie making, have you tried using the plugin: Extensions > Analysis > RMSD Trajectory Tool and then clicking on "Align"?
- As for your analysis, I would probably do some scripting that calculates the center of the vesicle, and then for each lipid determine which periodic image is closest to that center, and create a new PDB file out of that. You can then perform all your analysis routines.
On Jun 1, 2010, at 18:46 , Salvador Herrera Velarde wrote:
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