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Issues: marrink-lab/vermouth-martinize
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water biasing not auto identified from secondary structure
easy
One banana problem
#615
opened Oct 9, 2024 by
csbrasnett
read secondary structure from file
easy
One banana problem
enhancement
#613
opened Sep 23, 2024 by
csbrasnett
Expose Go model
backbone
and atomname
in add_virtual_sites
enhancement
#585
opened Apr 12, 2024 by
Lp0lp
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
Enhancement: Leave structural ions in file
enhancement
#534
opened Aug 7, 2023 by
KasperBuskPedersen
System builder for 100 chains - comment line too long for grompp
bug
#533
opened Jul 31, 2023 by
kesavanekambaram
Generating ITP file for use with create_goVirt.py
bug
easy
One banana problem
#530
opened Jun 30, 2023 by
yummy-hat
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