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Issues list

AttributeError: InteractionType instance has no attribute '__getitem__'
#30 opened Nov 2, 2017 by anitaknivedha
ValueError: for atom type OT, 0 parameters found (expecting 1, found: [])
#29 opened Nov 1, 2017 by anitaknivedha
1
ValueError: for atom type POT, 0 parameters found (expecting 1, found: [])
#28 opened Apr 1, 2016 by odraccix
1
ValueError: for atom type CC322, 0 parameters found (expecting 1, found: [])
#23 opened Apr 7, 2014 by krlitros87
3
Print a warning if there are water molecules in the PSF file
#19 opened Sep 18, 2013 by resal81 0.1.6
1
Add psf2pqr for PB calculations enhancement
#14 opened Sep 17, 2013 by resal81 0.1.7
Create posre.itp file enhancement
#11 opened Sep 17, 2013 by resal81
Setup test coverage, tox.ini and travis.yaml enhancement
#10 opened Sep 17, 2013 by resal81
Check for duplicate dihedrals in the PSF files enhancement
#9 opened Sep 17, 2013 by resal81
XPLOR-formatted PAR files enhancement
#8 opened Sep 17, 2013 by resal81
CHARMM-formatted PSF files enhancement
#7 opened Sep 17, 2013 by resal81
A better way for detecting the type of PSF files enhancement
#5 opened Sep 15, 2013 by resal81 0.1.6
Generate stand-alone ITP files enhancement
#4 opened Sep 15, 2013 by resal81 0.1.7
SETTLE for water models enhancement
#2 opened Sep 15, 2013 by resal81
ProTip! Updated in the last three days: updated:>2024-12-15.