AMBER Archive (2006)

Subject: AMBER: Values of Spring Constants

From: Sai Kumar Ramadugu (
Date: Wed Feb 01 2006 - 01:18:44 CST

Dear All,
  I wanted to do a simulation using the Umbrella Sampling. For restraints I
was using the Phi torsional angle of a residue. As it was mentioned in AMBER
manual to use WHAM to generated the potential of mean force, I used WHAM.
But in the WHAM program it asks for the values of the spring (foce) constant
for the restraining potential. How can I get the value of the spring
constant for the Phi angle between N-C-CA-N. I looked at the parm99.dat file
but there were four columns for the torsinal angles. Now which one among
them could be the values of force constant? Please help me in this regard.
Thanks and regards,

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