[AMBER] Problem with dihedral angles

From: <tommaso.casalini.mail.polimi.it>
Date: Wed, 23 Feb 2011 19:09:03 +0100

Hi dear Amber users,

I have a problem during the construction of a chain of a polyacrylic acid.
I have the monomer with which I construct the chain in tleap with the
sequence command.
However, the final chain is not straight because tleap impose a
dihedral angle between carbon atoms of two subsequent monomers which
is not correct.

How can I impose the correct angle?
I saw that impose command works for the single residue, but I have to
change the dihedral between atoms of different residues.

Thank you for your help.

Tommaso Casalini, Ph.D
Politecnico di Milano, CFA lab

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Received on Wed Feb 23 2011 - 10:30:04 PST
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