Re: Negative Forces in SMD Simulations

From: Souvik Dey (sdey8_at_uic.edu)
Date: Tue May 26 2020 - 15:22:19 CDT

Hi Peter,

The force in SMD convention according to this tutorial (
http://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-unix-html/node18.html)
is the difference between the expected and the actual distance covered
multiplied by the force constant. So, in this case, if you measure the
position after 1 s, it should have moved 1 cm in the z direction. So, net
force should be zero.

Please correct me if I am wrong.

Regards,
Souvik

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:13 CST