hi everyone
today ,I do minimization with my system,my system with two face to face monolayers composed of ch3(ch2)13cooh,
when i set the molecular as CHO group,it pass smoothly,because i want to pull the upper layer ,so i set the upper layer group DHO that has the same parameters with CHO itp , but the mdrun only reached 22th step and finished normally,which is too few to 5000 steps!
i want why !
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