[gmx-users] Center of Simulation Box

Shrivastava, Indira (NCI) shrivasi at mail.nih.gov
Fri Sep 6 16:59:30 CEST 2002

 Hi Gromacs_users, 

 I have a simulation of a protein in a bilayer, in which, 
 after the equlibration stage, (in which I fixed the protein and allowed
 the lipid and water molecules to move), the protein has shifted 
 w.r.t to the center of the simulation box. That is, the center
 of the protein and the center of the simulation box do not coincide. 
 Would it be alright to go ahead and do the production run or would
 it be incorrect? 


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