This is a test version of Biostars. For the public version, visit https://www.biostars.org.
Positional restraint energy is too big

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

0 answers

No answers yet.

Log in to answer this question.