[gmx-users] weird configuration when pulling rate is small
m21.tang at qut.edu.au
Mon Feb 1 06:50:18 CET 2016
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 far away), but the simulations run well and the force_strain curve is normal. Could anybody help to tell me where is the problem?
Thanks in advance,
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