On 2/13/13 8:47 AM, Naga Sundar wrote:
Hi
Plz try -pbc nojump option...It may work
Several iterations of trjconv are often needed to achieve the desired
representation. Indeed, the first step to removing jumps should be -pbc
nojump...which removes jumps ;)
-Justin
On Wed, Feb 13, 2013 at 5:29 AM, 라지브간디 <[email protected]> wrote:
Dear gmx users,
I need to stop my protein jumping inside box. I have used -pbc mol -ur
compact -center command too but still the protein gets moving from one
place to other.
Could you please suggest me how to make the protein to stop in one place ?
Moreover, its protein with their ligand.
Thnx.
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========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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