[gmx-users] CNT ROTATION

[ANDRES ADOLFO ORTEGA GUERRERO]

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