[gmx-users] 2 amino_acid outside the box before animation in ngmx
jalemkul at vt.edu
Tue Jan 22 16:13:16 CET 2013
On 1/22/13 9:35 AM, Devika N T wrote:
> Dear all
> I have performed 1ns simulation for my protein (148 aa) complexed with calcium
> 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..
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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