Harmonic restraint parameters

From: Bernardo Sosa Padilla Araujo (bernardospa_at_gmail.com)
Date: Mon Nov 09 2009 - 13:49:37 CST

Hi all,

I am trying to run a simulation applying harmonic restraint to a group of
atoms during initialization.
To do that I need to modify a pdb file on one of the columns (X,Y,Z,O or B)
by adding the force constant value for each atom that I want to restraint.
The command is 'conskfile'.
Does anyone know what the units are for these values? are the units in
kcal/(mol A*A)?
Thanks in advance.


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