zenodoopen
MacRog POPS simulations (versions 1 and 2) 298 K with corrected PO not OP tails
<p>MacRog POPS simulations (298 K, starting structure from the CHARMM-GUI) performed with 1.0 nm cut-offs, PME and a dispersion correction. Two simulations were performed with differently assigned random starting velocities. Note that unlike the original MacRog simulations, these have the correct PO and not OP tails. </p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
ScienceDex for faculty
Your academic CV and NIH biosketch
Make your CV in your school's format and your NIH biosketch from it, then download both as Word files.