Hi everyone
I've trying the parametrization of a ribosoma-ligand complex. It works well with some ligands but other ligands can't be minimized without "exploiding". The difference between the ligands that work and the ligands that don't is that the first have a -683.99 charge and the second have -684.005. I want to perform all the MD with the same parameters in order to compare the results but I don't know how to fix it.
What should I do?
Thanks in advance
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Received on Fri Sep 29 2023 - 01:30:02 PDT
