[gmx-users] Re: gmx-users digest, Vol 1 #1190 - NVE problem

[istvan at kolossvary.hu]

Anton, 

You were right, running NVE in double precision makes a huge difference. 
Now, my drift is 0.035 kJ/mol/ps, which is quite acceptable. It is quite a 
bit slower, though. 

Many thanks, 

  Istvan