[gmx-users] 2 amino_acid outside the box before animation in ngmx
Devika N T
deviinfoz.an at gmail.com
Tue Jan 22 15:35:04 CET 2013
Dear all
I have performed 1ns simulation for my protein (148 aa) complexed with calcium
ion.
After the generation of 1ns files, I have given *"ngmx"* to view the protein
.
But I can see 2 amino acids residues out of the box before giving the
"animation" option in "ngmx"
While giving the "animation" option at around 980ps th 2 residues are
going inside the box.
Box shape given : octahedron with "2" and centered.
What could be the reason..
Calcium ion is present inside the box only.
Please help me out.
* Regards**
N.T. Devika*
More information about the gromacs.org_gmx-users
mailing list