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application/vnd.shana.informed.formtemplate - 1.6 KB - MD5: b761c8afe21af2f07235ff893ccdf671
Topology file of all used grid molecules of the pore systems in .itp format.
Unknown - 477 B - MD5: cfbe8566fcedb2702d7cc6f9c798eab9
Main topology file of a simulation of an box the heptane (Force Field: OPLS/AA) simulated in .top format.
Unknown - 332 B - MD5: 90bbdbc4ae280d4ece68b52f75bc462d
Simulated heptane density with the OPLS/AA force field and experimental density from the DDB (Dortmund Data Base 2018)
application/vnd.shana.informed.formtemplate - 6.2 KB - MD5: 4702b537e602cd64c9aca24347ddda4e
Topology file of im_surface molecule in .itp format.
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