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added water model selection and list file to pdb2gmx
[gromacs/adressmacs.git]
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oplsaa.ff
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watermodels.dat
blob
513bcae0d6222a9e18396176f495b23dde4400b3
1
tip4p TIP4P TIP
4
-
point
,
recommended
2
tip3p TIP3P TIP
3
-
point
3
tip5p TIP5P TIP
5
-
point
4
spc SPC simple point charge
5
spce SPC
/
E extended simple point charge