I am trying to change all lipid acyl tails to a trans orientation, and thought that restraining all tail dihedrals to 180 should work quickest. I have also tried smaller angles (120, 100) and the effect is the same, leaflets drifting apart.
In fact, the 180 restraint does work fine in vacuo for a single lipid. But it is possible that the restraints are too loud. I will play with this for a little bit. The dihedrals of ALL lipid acyl tails in a typical lipid bilayer are being restrained. -- View this message in context: http://gromacs.5086.n6.nabble.com/bilayers-move-apart-by-nanometers-upon-implementing-dihedral-restraints-on-lipid-tails-tp4999104p4999164.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
