[gmx-users] positioning molecule at desired location

Alex Mathew alexmathewmd at gmail.com
Wed Aug 16 06:19:04 CEST 2017

Dear all,

I want to keep a water molecule at a particular position of a protein
channel. I need to pull this across the channel and observe the energy
diagram by PMF. can anyone tell me how I can keep water molecules at a
particular position.

thank you.

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