On Sat, Nov 16, 2013, moitrayee.mbu.iisc.ernet.in wrote:
>
> However, it seems that tleap has no function to add a new angle or
> delete one.
This is correct: tleap determines the angles from the bond list: two atoms
bonded to a common third atom automatically generates an angle term. Amber
apparently does not work in the same way that CHARMM does in this respect.
...regards...dac
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Received on Sat Nov 16 2013 - 01:30:02 PST
