Thank you very much, It worked with NVT, but the water molecule is not going though the channel at 0.01 nm per ns but It worked when i increased the pull_coord1_rate to 0.5 nm per ns from 0.01nm per ns but could not get proper histogram and energy profile. What parameters i need to change in order to get proper profile and to pull the molecule though the channel. I tried with different K value too. -- Gromacs Users mailing list
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