[gmx-users] dummy atoms & timesteps
JXS818 at bham.ac.uk
Wed Dec 18 12:09:05 CET 2002
Qu1I am just reading Antons '99 paper re large time-scale. Are the
dummy atoms produced by pdb2gmx implimented the same as in
the paper, or are they different?
Qu2. Can I just let pdb2gmx get on with producing dummy atoms,
or do I have to look & do anything ;-)
Qu3. When doing MD with dummy atoms, heavy hydrogens and a
large timestep. What do I look for when comparing it with a smaller
(ie 2fs) timestep & checking its right.
Qu4. Are there other paper re increasing the timestep of MD?
As usual any help will be emotionally accepted.
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