[gmx-users] Stopping protein jumping inside box
jalemkul at vt.edu
Wed Feb 13 14:50:04 CET 2013
On 2/13/13 8:47 AM, Naga Sundar wrote:
> 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 ;)
> On Wed, Feb 13, 2013 at 5:29 AM, 라지브간디 <rajiv at kaist.ac.kr> 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.
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Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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