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2 votes

Non-Covalent Interaction between drug and DNA?

Since it has been a month since OP agreed to write an answer without actually writing the answer, I will try answering this. The easiest way is to perform something called Enhanced Sampling ...
Hemanth Haridas's user avatar
1 vote

Why is this geometry optimization in Gaussian not working for a system containing an amino acid, a water molecule and a metal (Pb) ion?

Thanks for updating the question PriZarah, I can now at least suggest what might be causing the problem. It's probably just very, very slow In your recent example, you are calculating a reasonably ...
leeman's user avatar
  • 246

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