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Comparison of water models for structure prediction
Jun 3, 2025 - Wigner Research Centre for Physics
Pethes, Ildikó; Soczó, Bálint, 2025, "Comparison of water models for structure prediction", https://hdl.handle.net/21.15109/ARP/NDWPXO, ARP, V1
Topology files and simulation result datasets of the related publication. Describing the interactions of water molecules is one of the most common, yet critical, tasks in molecular dynamics simulations. Because of its unique properties, hundreds of attempts have been made to cons...
ECCw2024.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.5 KB - MD5: 480816b296c850fc5838843d9954d593
FBA_EPS.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 951 B - MD5: 16db425960865b13317aa1ff6f3fb20a
HUANG.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.7 KB - MD5: eeb49b05301ca04b995c3d7fe561f123
ML_TIP3P.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.1 KB - MD5: d6f5a2034283b129874f6564fc1a818c
OHcoordnumbers.csv
Jun 3, 2025 - Comparison of water models for structure prediction
Comma Separated Values - 1.9 KB - MD5: 245effd17407e34eafb7faa0f3fba8d4
OPC.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.9 KB - MD5: 640283c5773786b4dba7d3f1180f07bd
OPC3.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.2 KB - MD5: 558701da676283dc609ae5142fb78486
OPC3_POL.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1.3 KB - MD5: 62dc4a662dc583a00e830562e510fe02
OPTI_1T.itp
Jun 3, 2025 - Comparison of water models for structure prediction
application/vnd.shana.informed.formtemplate - 1014 B - MD5: 866e76160dc9154118b2b19261134848
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