[AMBER] Umbrella Sampling and wham

From: MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
Date: Fri, 29 May 2015 20:16:58 +0530

Dear all,
 I am doing Umbrella sampling with distance restrain.
r1=0, r2=0.9,r3=0.9,r4=5
while analyzing it by wham , I am facing a problem in defining force
constant in meta.dat file.
I had used rk2=30,rk3=30
What will be the right force constant for this rk value.
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Received on Fri May 29 2015 - 08:00:02 PDT
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