[gmx-users] dummy atoms & timesteps

J Simms JXS818 at bham.ac.uk
Wed Dec 18 12:09:05 CET 2002

Hi all, 
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.
John ;-)

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