标题: 胶原蛋白，糖胺聚糖对接体系，多个HA对接后，能量最小化停止 [打印本页] 作者Author: soft 时间: 2024-4-6 10:52 标题: 胶原蛋白，糖胺聚糖对接体系，多个HA对接后，能量最小化停止 Energy minimization has stopped, but the forces have not converged to the
requested precision Fmax < 500 (which may not be possible for your system).
It stopped because the algorithm tried to make a new step whose size was too
small, or there was no change in the energy since last step. Either way, we
regard the minimization as converged to within the available machine
precision, given your starting configuration and EM parameters.
Double precision normally gives you higher accuracy, but this is often not
needed for preparing to run molecular dynamics.
You might need to increase your constraint accuracy, or turn
off constraints altogether (set constraints = none in mdp file)