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Questions related from Gustavo Ramírez
Hi all, Thanks for taking the time to help me. I have generated a charged oligomer chain using acepype, as it is the only software I have been able to find to automatically parametrize using the...
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Hi, I am a begineer in DFT calculations and I need to characterize an alternating co-polymer. I would like to know if you have some suggestions or additions on how to achieve this. I have just...
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How would you build a diblock copolymer monomer using Gaussian? I would like to receive guidance or feedback on the following or any other methodology, please. 1) I am going to run MD of diblock...
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Hi, I was wondering if you could guide me on regard of a polymer aqueous solution simulation. I have parametrized a 3mer PEO polymer through AM1-bcc using tleap AMBER to get a file.pdb output...
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Hello everybody, I was wondering if you could help with the following: I have run the equilibration of a small molecule in Amber and I would like to take this output as my input to run...
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