[gmx-users] water permeations study in channel using Gromacs

[Nikhil Maroli]

Dear all,

i have made cyclic peptide nanotube using charmm36 ff and done a 100ns MD.
now i wanted to study the water permeation inside the channel is there any
method available in Gromacs? i tried pulling the water from top of the tube
to bottom (channel is embedded in lipids) using US methods but it was not
successful.

Is there any way i can know the permeation details such as conductivity
,water distribution inside the channel etc..

PS : i seen many paper ,most of them used NAMD for these studies.

-- 
Ragards,
Nikhil Maroli