[gmx-users] SMD pulling question

Esteban Gabriel Vega Hissi egvega at gmail.com
Fri May 14 21:06:49 CEST 2010

Hi everyone,
I have a question regarding pulling a molecule in a SMD simulation. I
pretend to translate a ligand across a lipid bilayer and get later the PMF
to calculate the DeltaG profile across the bilayer.
The reference group for pulling will be the COM of the bilayer but do I have
to restain the position of it?

Thanks in advance

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