Dear All,
I have generated DNA base steps wit different conformations.( step
parameter value combination (twist,roll and slide values) in PDB format..
The hbond occur between the base in the base pairs
and stacking occurs between base pairs. additionally the vdw and other
non-bonded interactions occurs. i would like to calculate these interaction
and potential energy.
Total=?
VDW=?
ELEC=?
Finally the objective is to get a contour energy plot .
This has to be done for all amber force fields. It will would be nice if
some one can let me know how to go about.
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Received on Tue Apr 30 2013 - 03:30:03 PDT
