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I would first look to see if VMD itself could do this and then, if so, see how this module would handle the process. Off the top of my head, I know gromacs can do this fairly easily.
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dmichalak commentedon Dec 17, 2020
I would first look to see if VMD itself could do this and then, if so, see how this module would handle the process. Off the top of my head, I know gromacs can do this fairly easily.