Hi All,
I've converted CHARMM psf to AMBER prmtop using CHAMBER. In the prmtop file
I find that the unit for K_ub is kcal/mole/rad**2. In the CHARMM parameter
file the unit is kcal/mole/A**2. Could anyone please explain the difference
in the units and also how to interconvert between the two.
Another question is that the prmtop top created above has UB term in the
form i,k,index. Is there a way I can get the list of UB terms as three atoms
(I,j,k) form using this prmtop.
Regards,
Manish
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Received on Mon Jun 27 2011 - 10:00:03 PDT
