[gmx-users] RE: Targeted MD
nimeshjain2010 at u.northwestern.edu
Fri Aug 20 16:08:34 CEST 2010
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.
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