From: Grace Shen (Lingling.Shen_at_bnpi.com)
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
designed?
Thank you very much!
Grace
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