Positional restraint energy is too big

Positional restraint energy is too big

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Hello, I am running equilibration of protein system to prepare it for md simulation and I encountered a problem that says “Compute_Energy_Restraints_Pos> Positional restraint energy is too big (see “Chapter: Trouble shooting” in the user manual) rank_no = 15″. My system consist of two proteins of 401 and 571 amino acids longs and I am applying restraints on all residues. Please does someone knows how to solve this problem?


Molecular


Dynamic


simulation


Amber


Equilibration

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