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
"...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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