How to do umbrella sampling and SMD by CHARMM or NAMD?

Angana Ray @Angana_Ray

11 November 2013 1 5K Report

I want to do Steered Molecular Dynamics with umbrella sampling. Can anyone help me with examples or scripts ?

Hiqmet Kamberaj

For namd program you should look at the online tutorials following this link

http://www.ks.uiuc.edu/Training/Tutorials/namd-index.html

For charmm program there is an online documentation with many explanation and examples following this link

www.charmm.org

Afm module for steered md, and adumb for umbrella sampling.

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