Date: Sat, 30 Oct 2021 07:10:22 +0500
Dear Amber users
I am working on a protein-ligand system for which I run 100 ns of
simulation. On visual inspection I have observed that ligand adopts
unexpected conformations and as shown in pdb structures. I have used RESP
charges and antechamber for calculation of parameters.
Could you please help me to figure out the source of the problem.
Thanks in advance.
Regards
Sadaf
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