AMBER Archive (2008)

Subject: AMBER: AMBER parameters for Chlorophyll

From: Sreeja Parameswaran (sreeja.p_at_gmail.com)
Date: Wed Feb 13 2008 - 19:31:05 CST

Hi!

I am trying to obtain AMBER parametrs for chlorophyll a. I used Antechamber
to get the force field parameters. But some parameters, connected to the Mg
atom (antechamber assignes AMBER atom type as DU), are missing.

These are the missing parameters in my frcmod file.

MASS
DU 0.000 0.000 ATTN, need revision
BOND
DU-CM 0.00 0.000 ATTN, need revision
ANGLE
CD-CM-DU 0.000 0.000 ATTN, need revision
DU-CM-CT 0.000 0.000 ATTN, need revision
CM-DU-CM 0.000 0.000 ATTN, need revision
DIHE
CD-CM-DU-CM 1 0.000 0.000 0.000 ATTN, need
revision
DU-CM-CD-CC 1 0.000 0.000 0.000 ATTN, need
revision
DU-CM-CD-CT 1 0.000 0.000 0.000 ATTN, need
revision
DU-CM-CT-CT 1 0.000 0.000 0.000 ATTN, need
revision
DU-CM-CT-HC 1 0.000 0.000 0.000 ATTN, need
revision
DU-CM-CD-HA 1 0.000 0.000 0.000 ATTN, need
revision
CM-DU-CM-CT 1 0.000 0.000 0.000 ATTN, need
revision
NONBON
 DU 0.0000 0.0000 ATTN, need revision

I would greatly appreciate any help in obtaining these missing parameters.

Thank You
Sreeja 

-- 
Sreeja Parameswaran
Department of Physics and Astronomy
Georgia State University
29 Peachtree Center Avenue, Suite 400
Atlanta, GA 30303
Phone: 404-324-2939

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