Re: [AMBER] Problem with penta coordinated HEME-HIS

From: case <>
Date: Sat, 16 Nov 2013 04:13:06 -0500

On Sat, Nov 16, 2013, 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.


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Received on Sat Nov 16 2013 - 01:30:02 PST
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