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18 Open 33 Closed
18 Open 33 Closed
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Issues list

Poltype hanging after Gaussian opt-1- same as Issue #5
#67 opened Jan 8, 2025 by CallumFrEllis
missing key6 during the fragment process and Explicit valence for atom # 5 N, 8
#65 opened Jan 6, 2025 by pengacid
5
How to parameterize the covalently connected organic molecule and residue?
#63 opened Dec 10, 2024 by Cynthia-0807
Error in 'solvation free energy' (box setting error)
#61 opened Nov 29, 2024 by ru80john
Fragmenter option for generating the parameter
#56 opened Sep 18, 2024 by pradipchm
Can We also use it to prepare the parameters for monovalent and divalent ions
#55 opened Sep 12, 2024 by heman3333
1
Polytype2 error when running with addhydrogens = True
#54 opened Sep 11, 2024 by seanwangsalad
running separate qm calculations
#50 opened Jul 18, 2024 by scinikhil
5
Title card in final.xyz breaks neat liquid simulation workflow
#49 opened Jul 16, 2024 by ghost
How can I assign atom classes from amoeba18bio to speficied atoms during parameterization?
#40 opened Mar 22, 2024 by Blossomstripe
Problem in energy minimization
#37 opened Feb 19, 2024 by heman3333
Parallel job submit & Restart from checkpoint
#36 opened Nov 29, 2023 by Ericwang6
the parameter of the heme cofactor in Its ferrous and ferric Forms
#35 opened Nov 21, 2023 by Cynthia-0807
2
Installation
#33 opened Jul 26, 2023 by zimb3l
4
Neat Liquid Simulations
#31 opened Jun 6, 2023 by cdpoon
Torsion scan graphs
#26 opened Mar 17, 2023 by DanieleQubit
amoebabio18.prm missing torsion
#23 opened Jan 31, 2023 by BJWiley233
Large molecule has final charge
#21 opened Dec 30, 2022 by BJWiley233
2
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