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

[Claudio J. Margulis]

Dear Erik, thanks for answering,

there's no constraints in my simulation though ...

 >If you use PME the problem is probably the constraints combined with 
 >single precision ...

Any other ideas?
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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