[AMBER] Asking for help: cross linking polymer

From: SAKO MIRZAIE <sako.biochem.gmail.com>
Date: Tue, 7 Jul 2020 20:28:10 -0400

Hi All,
I am going to do MD simulations on a cross-linked polymer. I want to use an
amber force field. However, for the preparation of input file, I want to
use ambertools. I read the following tutorial for that,

https://ambermd.org/tutorials/advanced/tutorial27/pet.htm

but my polymer has a cross- link and I don’t know how can I define the
cross link by LEAP module in ambertools. It's highly appreciated if you can
help me.
Best,

-- 
***********************************************
Sako Mirzaie
Ph.D. in biochemistry, Assistant Professor, Science Faculty, Islamic Azad
University of Sanandaj, Sanandaj, Iran
Visiting Professor, Advanced Pharmaceutics
& Drug Delivery Laboratory
Leslie Dan Faculty of Pharmacy
University of Toronto
144 College Street, Toronto, Ontario
Canada M5S 3M2
http://scholar.google.com/citations?user=viwZvVAAAAAJ&hl=en
http://www.scopus.com/authid/detail.url?authorId=54886431500
http://www.ncbi.nlm.nih.gov/pubmed/?term=sako+mirzaie
https://www.researchgate.net/profile/Sako_Mirzaie/publications/
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Received on Tue Jul 07 2020 - 17:30:04 PDT