Hello, I realize that this topic has been discussed before, but I just need to ascertain a few things: I have a system of about 1400 atoms with implicit solvent and I want to do a targeted MD. While doing the pre-processing, if I just specify "grompp -r in.gro -rb out.gro", is this sufficient or are there any other things that I need to consider. Also, I have tabulated potentials.
If any one knows how to do this, or if you need more info on my system, please let me know. Thanks, Nimesh
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