[gmx-users] g_cluster problem
A.J.Beevers at warwick.ac.uk
Mon Feb 28 13:50:04 CET 2005
I am trying to produce the structure with the lowest RMSD difference to the others in the particular xtc file using g_cluster.
The problem is that the protein is in a DMPC lipid bilayer and I cannot seem to do an RMSD comparison of just the protein structure without resulting in a output structure which has no bilayer.
Is there any way of doing an RMSD comparison of just the protein structure whilst including its particular lipid environment (at that time point) in the final output structure?
Any help would be much appreciated
Thank you in advance
Dr Andy Beevers
University of Warwick
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