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MobleyLab
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relative-solvation-paper
Paper on reproducibility of relative solvation free energies across packages
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Reviewer 2-Q4: Differences in perturbed groups between software
#44
Steboss
closed
6 years ago
2
Reviewer 2-Q3: CLarify which AMBER method was used
#43
Steboss
closed
6 years ago
2
Reviewer 2-Q2: Add references
#42
Steboss
closed
6 years ago
2
Reviewer 2-Q1: Protocol consistency
#41
Steboss
closed
6 years ago
7
Reviewer 1-Q7: CHARMM FF clarification??
#40
Steboss
closed
6 years ago
3
Reviewer 1-Q6: Clarify discussion
#39
Steboss
closed
6 years ago
2
Reviewer 1-Q5: Check reference
#38
Steboss
closed
6 years ago
1
Reviewer 1-Q4: mention other codes
#37
Steboss
closed
6 years ago
2
Reviewer 1-Q3: Address which interactions should be retained for dummies
#36
Steboss
closed
6 years ago
4
Reviewer 1-Q2: move some material to intro
#35
Steboss
closed
6 years ago
2
Reviewer 1-Q1: concern around AFE; is CHARMM outlier?
#34
Steboss
closed
6 years ago
3
Reviewer 1-Q8
#33
jmichel80
closed
6 years ago
0
Reviewer 1-Q0
#32
jmichel80
closed
6 years ago
1
Very minor tweak on decoupling
#31
davidlmobley
closed
6 years ago
0
Julien
#30
jmichel80
closed
6 years ago
0
DLM edits; mostly typo fixes
#29
davidlmobley
closed
6 years ago
1
Julien
#28
jmichel80
closed
6 years ago
0
added data
#27
jmichel80
closed
6 years ago
0
Modified figure 1 and 2
#26
Steboss
closed
7 years ago
0
Fix SB comments and correct Sire to Sire/SOMD in SI
#25
Steboss
closed
7 years ago
0
SOMD fix
#24
Steboss
closed
7 years ago
0
Julien
#23
jmichel80
closed
7 years ago
0
GDRM addition of important detail
#22
gduarter
closed
7 years ago
0
GDRM edits/ addition of DLM changes
#21
gduarter
closed
7 years ago
0
DLM edits/cleanup throughout
#20
davidlmobley
closed
7 years ago
0
PR
#19
jmichel80
closed
7 years ago
0
Merge pull request #17 from MobleyLab/master
#18
jmichel80
closed
7 years ago
0
PR for text edits
#17
jmichel80
closed
7 years ago
2
GDRM revision 2
#16
gduarter
closed
7 years ago
0
GDRM revision. Left some space for feedback.
#15
gduarter
closed
7 years ago
0
MAD tables
#14
Steboss
closed
7 years ago
0
Tidy up the text
#13
Steboss
closed
7 years ago
0
Addition of more comments and questions
#12
gduarter
closed
7 years ago
0
Julien Revision
#11
Steboss
closed
7 years ago
0
Jm
#10
jmichel80
closed
7 years ago
1
Correction for Sire/SOMD
#9
Steboss
closed
7 years ago
0
added reference and fixed table. Couldn't compile yet
#8
gduarter
closed
7 years ago
1
Edits throughout part I hadn't read yet
#7
davidlmobley
closed
7 years ago
2
Solved merging conflicts in a non-orthodox way
#6
gduarter
closed
7 years ago
2
addition of gromacs 4.6.7 protocol and results
#5
gduarter
closed
7 years ago
2
Sire revision
#4
Steboss
closed
7 years ago
0
Minor edits to intro/abstract
#3
davidlmobley
closed
7 years ago
2
Sire Part pull request - Rev 1.4
#2
Steboss
closed
7 years ago
2
Posting draft of converted files
#1
mrshirts
closed
7 years ago
3
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