[gmx-users] shell molecular dynamics

[michael zhenin]

Hello,

I would like to run a simulation using the shell option.

I tried to restraint solvent molecules which were found within the range
of 5-10 angstroms from the box center. I couldn't find any way to do
so. I didn't find any information about this topic anywhere else
i.e. GROMACS manual, online tutorials etc.

Can anybody help me with this problem or guide me to appropriate tutorial.

Thanks in advance.

Michael
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