[gmx-users] spc.itp:HEAVY_H

[Chih-Ying Lin]

Hi
In the spc.itp file,
Is the HEAVY_H = Deuterium  ?
Then, H2O become D2O ?

Thank you
Lin




#ifdef _FF_GROMOS96
#ifdef HEAVY_H
     1     OW      1    SOL     OW      1      -0.82    9.95140
     2      H      1    SOL    HW1      1       0.41    4.03200
     3      H      1    SOL    HW2      1       0.41    4.03200
#else
     1     OW      1    SOL     OW      1      -0.82   15.99940
     2      H      1    SOL    HW1      1       0.41    1.00800
     3      H      1    SOL    HW2      1       0.41    1.00800
#endif