[gmx-users] gmxcheck (warning or error, I don't know...)

Alberto Sergio Garay sgaray at fbcb.unl.edu.ar
Tue Jun 3 15:57:16 CEST 2008


Hi

I was checking a xtc file with gmxcheck (without any option) and I  
obtained some information which I could not understand:

Reading frame 80 time 2100.160
Timestep at t=2100.16 don't match (0.00219727, 0.00170898)
reading frame 200 time 2100.400
Timestep at t=2100.4 don't match (0.00219727, 0.00170898)
reading frame 300 time 2100.600
Timestep at t=2100.64 don't match (0.00219727, 0.00170898)
..........................................................

What does these pairs of number mean at the end of each row (between  
parenthesis)?

Can I fix this problem?

Any suggestion would be appreciated.

-- 
Dr. Sergio Garay
Facultad de Bioquimica y Cs. Biológicas
Universidad Nacional del Litoral
Santa Fe - Argentina
C.C. 242 - Ciudad Universitaria - C.P. S3000ZAA
Argentina
Ph. +54 (342) 4575-213
Fax. +54 (342) 4575-221








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