[gmx-users] center of masses inappropriate

[Rongliang Wu]

Hello, gmx-users，

	I report here that the center of mass calculated in g_traj, g_rdf, g_clustsize etc does not take into account the pbc conditions, for example the center of mass of cluster cutted by the box vector has position near the box center while it should be close to the box boundary. 
	i wonder how to tackle this problem?

　　　　　　　　Regards!
 				

　　　　　　　　Rongliang Wu
　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2008-12-24