[gmx-users] Re:gmx-users Digest, Vol 82, Issue 56

[gromacs]

Hi,guys

I obtained surface tension of water and salt solution. But the value RMSD was always very big although the value of 65 is reasonable. Is it all right about the RMSD??

Energy                      Average   Err.Est.       RMSD  Tot-Drift
-------------------------------------------------------------------------------
Total Energy                -137595         13    373.628   -80.3863  (kJ/mol)
Temperature                 300.019      0.024    3.77499   0.100291  (K)
#Surf*SurfTen               1285.17         16    1930.44   -127.147  (bar nm)
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