normal collagen parameter from MARTINIZE.py

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1 year 10 months ago #7250 by gupta.rakesh2
collagen parameter from MARTINIZE.py was created by gupta.rakesh2
Hi all

I would like to do CG MD simulation of collagen in presence of some nanoaparticle. I am using latest martinize.py script ( using -collagen flag) in order to make topology and coarse grain structure of collagen molecule. The script gives the backbone dihedral parameter 90.7 and 100 for angle and Kd, while in original publication (J. Chem. Theory Comput.2010,6,1210–1218) the parameters are -89.3 and 100 respectively.

Can anyone help me in this.

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1 year 10 months ago #7264 by gupta.rakesh2
Replied by gupta.rakesh2 on topic collagen parameter from MARTINIZE.py
I have found out the answer.

It's simple, 180-89.3 = 90.7.
I don't know what I was thinking that time.

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