[gmx-users] Periodic Boundary removal in Coarse Grains Simulations
Dr. Vitaly Chaban
vvchaban at gmail.com
Sat Feb 22 22:05:55 CET 2014
it has nothing to do with CG description of PES.
try the option of trjconv, which is "to make molecules whole again"
Dr. Vitaly V. Chaban
On Sat, Feb 22, 2014 at 6:43 PM, Nikhil Agrawal <nikhil.08oct at gmail.com> wrote:
> Hi All,
> I have simulated a membrane proteins system using coarse grain model. after
> simulations when i removed periodic boundary from my simulations box but
> the protein is moving up and down in the box ? I have tried all the
> options nojump ,mol,whole ...etc. no options seems to work.
> there is something wrong with my trajectory or it is normal with CG ?
> thanks in advance :)
> Nikhil Agrawal
> Project Fellow
> Institute of Genomic & Integrative Biology (IGIB)
> Mathura Road
> New Delhi 110020
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