[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
Thanks
--
Ragards,
Nikhil Maroli
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