[gmx-users] wanted to fix cpn in lipid layer MD, -position/distance restrains

Nikhil Maroli scinikhil at gmail.com
Tue Apr 12 15:25:57 CEST 2016

Dear all,
i am doing MD of cyclic peptide nanotube in lipids,i wanted to keep the
tube fixed thoughout simulation but with below restrains after 40ns two to
three rings moves away from the positions .

gmx genrestr -f cpn.gro -o posre_cpn.itp -fc 1000 1000 1000

i wanted to  keep the position  fixed or maximum +1 nm movements of
individual rings , so can anyone suggest

me how should i proceed  i dont have time to check all the possibility
of gmx genrestr

so specifically hwo should i procees in such cases


Nikhil Maroli

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