[gmx-users] How to fix or constrain Center of Mass

Dear Gromacs Users, Is there a way to constrain or fix Center of Mass of lipid bilayer or proteins in a MD run? Thanks! Thomas -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://ww

Re: [gmx-users] How to fix or constrain Center of Mass

On 4/21/14, 12:23 PM, Tom wrote: Dear Gromacs Users, Is there a way to constrain or fix Center of Mass of lipid bilayer or proteins in a MD run? To fix the position of the COM, use nstcomm = 1 (but your performance may suffer badly), otherwise removal of COM drift periodically is handled b