[gmx-users] CNT ROTATION

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Thu May 29 21:41:10 CEST 2014

Should i try instead different pull MD(changing the pbcatom, CNT's COM,
velocity,force) , in order to get new configuration for an umbrella
sampling simulation and a PMF in z Axis calculation, until i´ll get no
rotation in the CNT?
or can i used this MD, to get the configuration for the Umbrella Sampling??

Thank you for your help and patience

Andrés Ortega

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