[gmx-users] Weird configuration when pulling rate is small

[Ming Tang]

Dear list,

I am pulling a triple helix using umbrella distance. When the pulling rate is 0.0004 nm/ps, the configuration is normal. However, when I decrease the pulling rate to 0.0002 nm/ps or lower, the configuration is messy (some atoms flow away from the triple helix), but the simulations run well and both the force_strain curve and the history of number of h_bonds  look normal. Could anybody tell me why is that low pulling rates cause this problem?

Thanks in advance,
Ming