TARGETED MD - GRADUAL INCREASE OF FORCE

From: Samuel Morales Navarro (samue_82_at_hotmail.com)
Date: Fri Mar 14 2008 - 14:20:06 CDT

Hi NAMD users!!.

 

For a TMD, I need to generate a gradual increase of force (K) from X to Y Kcal/mol-1*A-2, by step of X kcal mol−1 Å−2 by a certain time, and between each step, a relaxation time. How can I produce this cycle? .. How would be TMD parameters in NAMD configuration file in this case?

 

 

Thanks for yours help,

_______________________________

Samuel Morales Navarro

Licenciado en Bioquímica

Pontificia Universidad Católica de Chile

Centro de Bioinformática y Simulación Molecular

Universidad de Talca

http://cbsm.utalca.cl/

 

"...For God so loved the world that he gave his one and only Son, that whoever believes in him shall not perish but have eternal life..." John 3.16

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