AMBER Archive (2004)

Subject: AMBER: A general question

From: aini_at_UMDNJ.EDU
Date: Tue Feb 03 2004 - 17:49:06 CST

Dear Ambers,

  I have a general question about MD simulation. Is it possible to observe
secondary structure formation (e.g. helix) from a loop during the MD
simulation? I am running a simulation on protein-ligand complex. I found
out a extra short helix formed in our average structure after 500 ps GBSA

Thank you very much!

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