[gmx-users] peptide coming out of the box

[priya priya]

Dear all
 
 I started with 6 residue peptide simulation in water for 1ns. initially i placed the peptide in the center using the command editconf -c flag, but after MD peptide is coming out of the water box. I want to calculate the water molecules around it and peptide interactions with water.
 
 Is there an error running simulation.
 Regards
 Priya
 
 				
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