[gmx-users] tfe.gro

hengame fallah hengame.fallah at gmail.com
Tue Nov 30 07:29:31 CET 2010


Hi,
Does anyone have the tfe.gro for solvent box?
I have the tfe.itp file in /usr/share/gromacs/top/ directory.

[ atoms ]
     1       C          1     TFE       C         1         0.74
     2       F          1     TFE       F         1        -0.25
     3       F          1     TFE       F         1        -0.25
     4       F          1     TFE       F         1        -0.25
     5      CH2       1     TFE      CH2      1        0.25
     6      OA        1     TFE      OA       1        -0.65
     7      HO        1     TFE      HO       1         0.41

I think that the .gro file for ethanol would help me, too if someone has it.
Thanks
Hengameh
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