[gmx-users] CNT ROTATION

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Wed May 28 18:11:31 CEST 2014

Thank you Justin For the Help,

I was wondering should i use a stronger force?,

My idea is to get the PMF of the SWCNT getting closer to the ion channel,
should i run a diferent pull MD in order to get hte configuration for the
umbrella sampling , or should i try a different force, or just put the
SWCNT close to the ion channel, and move away with another Pull MD ?

Thank you for your time and help

Andrés Ortega

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