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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Received on Wed Jan 14 2004 - 15:53:04 PST
