[gmx-users] limit in reducing time step for integration

[María Paula Longinotti]

Hi, 

I have been making some tests reducting the time step for the integration with md in the grompp.mdp file and observed that obtained results differ when the time step is 0.0001 from those obtained for time steps 0.0005 and 0.001.
Do you have any idea of which can be the problem?
Thanks,

Paula Longinotti
 		 	   		  
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