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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