[gmx-users] How does g_fg2cg work?

[wuxiao]

Dear GMXers,

   Is there anybody who use the g_fg2cg routine for mapping and reverse-mapping coarse-grained model on all-atom model? I want to know how it works, i.e. whether is the center of mass of a group of atoms used as superatom? How is the atomistic detail reintroduced to coarse-grained model? I have looked through many resouces, but no related clues are found. Can you give some? Thanks a lot for any reply.

 

Chaofu Wu, Dr.
 		 	   		  
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