Hi there,
I am conducting some HRTEM simulation job. But the absence of good software is my current research barrier, so please some good one recommend some free HRTEM simulation software. I really appreciate it.
I think that R is such a free software with which the simulation can be done.
When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!
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If so, do the input ligands need to be protonated with SMILES strings?
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Molecular docking software/ websites?
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for eg. transition shock scale
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Because I have realized that the world tends more and more to do open and free science and there is a trend more and more to choose free databases, free tools and open access platforms.
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Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
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