1. Force Fields
  3. Other Molecules

Other Molecules 131 topics

Any question about molecules that doesn't fit in the other forums? Post it here.

Subject Replies / Views Last Post
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Non-bonded (LJ) parameters for oxygen and carbon dioxide
Topic started 2 years 2 months ago, by priyakedia
Last Post 2 years 2 months ago
by riccardo
Replies:1
Views:961
Last Post by riccardo
2 years 2 months ago
unanswered
Martini hybrid model. Want to add volume exclusion beads.
Topic started 2 years 4 months ago, by nambinik
Last Post 2 years 4 months ago
by nambinik
Replies:0
Views:1190
Last Post by nambinik
2 years 4 months ago
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Modeling polypropylene (PP) sheet
Topic started 2 years 8 months ago, by Junb
Last Post 2 years 5 months ago
by Junb
Replies:6
Views:1726
Last Post by Junb
2 years 5 months ago
normal
Martini forcefield parameters for Mg2++ for a glycosylated protein
Topic started 2 years 11 months ago, by zmazhar9
Last Post 2 years 7 months ago
by riccardo
Replies:1
Views:1357
Last Post by riccardo
2 years 7 months ago
normal
Beads for triazine
Topic started 2 years 8 months ago, by marquez
Last Post 2 years 8 months ago
by siewert
Replies:1
Views:1192
Last Post by siewert
2 years 8 months ago
unanswered
FAD protein complex
Topic started 2 years 8 months ago, by kodi_nir
Last Post 2 years 8 months ago
by kodi_nir
Replies:0
Views:973
Last Post by kodi_nir
2 years 8 months ago
unanswered
bond parameters/SASA optimization for a new molecule
Topic started 2 years 9 months ago, by fralav
Last Post 2 years 9 months ago
by fralav
Replies:0
Views:1227
Last Post by fralav
2 years 9 months ago
normal
Modelling acids like sulfuric acid (H2SO4)
Topic started 2 years 9 months ago, by xatzman1999
Last Post 2 years 9 months ago
by xatzman1999
Replies:2
Views:1106
Last Post by xatzman1999
2 years 9 months ago
normal
Caffeine .itp file
Topic started 2 years 10 months ago, by JBinder
Last Post 2 years 10 months ago
by JBinder
Replies:2
Views:1504
Last Post by JBinder
2 years 10 months ago
normal
Martini forcefield parameters for Mg2+ for a glycosylated protein
Topic started 2 years 11 months ago, by zmazhar9
Last Post 2 years 10 months ago
by xavier
Replies:2
Views:1458
Last Post by xavier
2 years 10 months ago
normal
PMP membrane
Topic started 3 years 2 months ago, by gvdmm
Last Post 3 years 1 month ago
by riccardo
Replies:3
Views:2354
Last Post by riccardo
3 years 1 month ago
normal
Extending Martini Forcefield to Other Ions
Topic started 3 years 5 months ago, by AditiKhot
Last Post 3 years 5 months ago
by siewert
Replies:1
Views:2124
Last Post by siewert
3 years 5 months ago
unanswered
MARTINI Polyelectrolyte Polymer collapsing into helical structures
Topic started 3 years 8 months ago, by mboy@seas.upenn.edu
Last Post 3 years 8 months ago
by mboy@seas.upenn.edu
Replies:0
Views:2432
Last Post by mboy@seas.upenn.edu
3 years 8 months ago
normal
Force constants for a new molecule
Topic started 3 years 10 months ago, by ahq-ujn
Last Post 3 years 10 months ago
by peterkroon
Replies:1
Views:2326
Last Post by peterkroon
3 years 10 months ago
normal
Martinize.py empty output
Topic started 3 years 11 months ago, by ak418
Last Post 3 years 10 months ago
by ak418
Replies:2
Views:1865
Last Post by ak418
3 years 10 months ago
normal
Box burst when running NPT ensemble
Topic started 4 years 4 weeks ago, by realjun.zhou
Last Post 4 years 3 weeks ago
by vainikka
Replies:1
Views:2107
Last Post by vainikka
4 years 3 weeks ago
normal
Ionizable lipid
Topic started 4 years 1 month ago, by namit91
Last Post 4 years 1 month ago
by namit91
Replies:2
Views:1885
Last Post by namit91
4 years 1 month ago
normal
ATP parameters
Topic started 11 years 3 months ago, by yescalona
Last Post 4 years 4 months ago
by Carsten
Replies:10
Views:23.7k
Last Post by Carsten
4 years 4 months ago
normal
Modeling Polymers - AA Models for Bonded Parametrization
Topic started 4 years 6 months ago, by TravisM
Last Post 4 years 5 months ago
by riccardo
Replies:1
Views:1966
Last Post by riccardo
4 years 5 months ago
normal
Any ideas for how to map 2,2,2-trifluoroethanol
Topic started 4 years 7 months ago, by nanogod
Last Post 4 years 7 months ago
by siewert
Replies:1
Views:2027
Last Post by siewert
4 years 7 months ago
  1. Force Fields
  3. Other Molecules
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