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
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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