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112 Open 194 Closed
112 Open 194 Closed
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Issues list

Corse graining lipids molecules and ions data
#594 opened Apr 30, 2024 by Senweiuoa
3
Error While Martinizing "AssertionError"
#592 opened Apr 28, 2024 by Harshitasahni
1
Every Job Ran for Martinize2 is Killed/No Residues Recognized question user not dev raised issue
#586 opened Apr 15, 2024 by zamydm
9
Expose Go model backbone and atomname in add_virtual_sites enhancement
#585 opened Apr 12, 2024 by Lp0lp
1
Replace entire link instead of potential by potential enhancement
#584 opened Apr 12, 2024 by Lp0lp
1
3
add lipidations data
#563 opened Nov 30, 2023 by fgrunewald
Instabillity in large proteins data
#557 opened Oct 25, 2023 by fgrunewald
parse_pragma cannot handle #include in .itps files which are in #include in the top enhancement help wanted parser Issues concerning parser behaviour
#554 opened Oct 19, 2023 by BartBruininks
3
The sequence length does not match the number of residues
#538 opened Aug 17, 2023 by DoubleSheep2
7
Enhancement: Leave structural ions in file enhancement
#534 opened Aug 7, 2023 by KasperBuskPedersen
6
System builder for 100 chains - comment line too long for grompp bug
#533 opened Jul 31, 2023 by kesavanekambaram
14
Modifications Missing data
#531 opened Jul 26, 2023 by fgrunewald
Generating ITP file for use with create_goVirt.py bug easy One banana problem
#530 opened Jun 30, 2023 by yummy-hat
@fgrunewald
5
Exclusions cannot have meta bug
#527 opened Jun 27, 2023 by fgrunewald
1
Issue with odd python version leading to this error
#523 opened Jun 18, 2023 by WillPPK
7
DNA is not implemented yet? question
#521 opened May 26, 2023 by songyongshun
2
Nan coordinates of mutated residues duplicate
#512 opened Mar 29, 2023 by KasperBuskPedersen
1
Glycosylation FAQ
#502 opened Feb 8, 2023 by KasperBuskPedersen
1
How to protonate a GLU with martinize2 if the ff is set to martinize22? bug data easy One banana problem user not dev raised issue
#496 opened Jan 9, 2023 by tnozturk
1
Reading in header information from itp file parser Issues concerning parser behaviour
#486 opened Nov 21, 2022 by csbrasnett
3
Change Default Force Constant enhancement
#480 opened Nov 8, 2022 by fgrunewald
Problems with HSE, HSP and ASPP when Martinizing from Charmm36 to M3 bug data easy One banana problem user not dev raised issue
#471 opened Oct 19, 2022 by MikkelDA
5
Unable to combine criteria for elastic network selection enhancement hacktoberfest Issue suitably scoped for hacktoberfest and other external contributors medium Two banana problem
#467 opened Oct 3, 2022 by pckroon
Automatic Repair of missing PDB coordinates enhancement
#457 opened Sep 1, 2022 by fgrunewald
1
Automatic Protonation States via PropKa easy One banana problem enhancement hacktoberfest Issue suitably scoped for hacktoberfest and other external contributors
#453 opened Aug 26, 2022 by fgrunewald
3
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