[CPU] p12463 to FAH
Posted: Wed Oct 23, 2024 4:10 pm
We are now releasing [CPU, A8] p12463 to full FAH.
These are regular MD simulations of a small *peptoid* (i.e. N-substituted oligoglycine) that we are performing to test force field accuracy and enhanced sampling of cis/trans isomerization transitions in the backbone amides. One wrinkle: because this is a non-natural peptide *mimic*, the visualizer (which only recognizes biological peptide residues) will not show most of the molecule. Sorry about that, but there's not much we can do about it! On the bright side there is a beautiful -NH2 group that is visible, for those who appreciate such things
Project description: https://stats.foldingathome.org/project/12463
p12463
<project type="GRO_A8" id="12463">
<runs v="8"/>
<clones v="100"/>
<gens v="1000"/>
<atoms v="12130"/>
<stats_credit v="5350"/>
<description v="peptoid 19AE1-4-A in water EE"/>
Constraints
([CPU!=ARM CPU!=ARM64])
CPUs >=4
These are regular MD simulations of a small *peptoid* (i.e. N-substituted oligoglycine) that we are performing to test force field accuracy and enhanced sampling of cis/trans isomerization transitions in the backbone amides. One wrinkle: because this is a non-natural peptide *mimic*, the visualizer (which only recognizes biological peptide residues) will not show most of the molecule. Sorry about that, but there's not much we can do about it! On the bright side there is a beautiful -NH2 group that is visible, for those who appreciate such things
Project description: https://stats.foldingathome.org/project/12463
p12463
<project type="GRO_A8" id="12463">
<runs v="8"/>
<clones v="100"/>
<gens v="1000"/>
<atoms v="12130"/>
<stats_credit v="5350"/>
<description v="peptoid 19AE1-4-A in water EE"/>
Constraints
([CPU!=ARM CPU!=ARM64])
CPUs >=4