[gmx-users] Re: bilayers move apart by nanometers upon implementing dihedral restraints on lipid tails

khandelia hkhandelia at gmail.com
Fri Jul 6 16:40:13 CEST 2012

Justin, Vitaly

The topology is fine, I double-checked

The simulation runs perfectly fine without the restraints.

It is not a PBC effect, since the box size along z is > 50 nm after a ns or

Does one need yet another restraint to hold the bilayer together? 

There has been some discussion about problems with dihedral restrains in the
list earlier, but nothing like this.

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