[gmx-users] SMD pulling question
Esteban Gabriel Vega Hissi
egvega at gmail.com
Fri May 14 21:06:49 CEST 2010
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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