AMBER Archive (2003)

Subject: AMBER: GIBBS - PMFquestion

From: Jiri Matousek (matousek_at_chemi.muni.cz)
Date: Wed Dec 03 2003 - 04:47:41 CST

Hi Amber users,
  I am trying to do free energy calculation using PMF with umbrella
term. I quite successfully try TI (CF) method before.
  Can anyone tell me if it is possible to use umbrella term (IUMB=1)
when restraint is in closed ring? I got CORC=0 after every window.
Thank you in advance.
Jiri

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