TARGETED MD - GRADUAL INCREASE OF FORCE

From: Samuel Morales (semorale_at_gmail.com)
Date: Fri Mar 14 2008 - 15:21:51 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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