[gmx-users] Protein from the line chain

Steven Neumann s.neumann08 at gmail.com
Fri Aug 3 16:27:14 CEST 2012

Dear Gmx Users,

I want to simulate protein line chain (80 residues) in explicit
sovent. Let's assume its axis is x direction. What should be the z and
y dimension of the box? Is there any rule? Would you wait e.g. for 50
ns when it folds and then decrease the simulation box?

thank you


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