Question regarding SMD

From: Grace Shen (
Date: Mon Oct 31 2005 - 15:11:01 CST

Hi All:

I am a new user of NAMD. I have two questions about SMD while I am trying to
pull the ligand out of the receptor:

1. How can I apply the external force to one particular atom in the ligand
while I set all atoms in the ligand as SMD atoms?

2. How can I choose the pulling direction based on the unbinding path I

Thank you very much!


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