[gmx-users] energy drift in nve with conservative parameters

[Claudio J. Margulis]

I am sure I am not using constraints.
I attached, the mdp file in the first email I sent a little while ago.

I am not quite convinced that single precision is the problem. Any 
insight on more stringent pme parameters?

thanks in any case. Best,
Claudio.

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Claudio Javier Margulis, Ph.D.                       
Chemistry Department                               
Columbia University                                
Web http://www.chem.columbia.edu/~claudiom/        
Work phone (212) 854-8470                          
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