I am working on a covalent inhibitors in tyrosine kinases, for this I have to do the MD simulation by amber software, the pdb i used has iD 4HCU, in the pdb there is lagand name 13l covalent bonded to cystine 442. I want to parametrize this covalent bond but i am getting no success and for this i follow the tutorial "
http://sf.anu.edu.au/~vvv900/amber-tutorial/1cgh-nonstandard/" ,
so you all are requested to please give me some suggestion what to do, or suggest me another tutorial.
Thanks in advance,Alamgir Khan
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Received on Mon Feb 10 2020 - 21:30:02 PST
