[gmx-users] Pressure coupling incorrect number of values (I need exactly 2)-US simulation

Alex Mathew alexmathewmd at gmail.com
Mon Aug 21 08:25:58 CEST 2017

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.

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