Datasets:

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Duplicated from  Kai-Zhu-2001/SelfTICA

Anny0316

/

SelfTICA

like 0

• "p4pew.TIP4P-Ew TIP 4-point optimized with Ewald tips3p TIPS3P CHARMM TIP 3-point with LJ on H's (note: twice as slow in GROMACS)",
• "p3p. TIP3P TIP 3-point, recommended tip4p TIP4P TIP 4-point"

How to fix it?