Folding Forum

Releasing [CPU, A8] p12462 to FAH. These are expanded-ensemble 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/12462

p12462
<project type="GRO_A8" id="12462">
<!-- project settings -->
<runs v="2"/>
<clones v="100"/>
<gens v="1000"/>
<atoms v="12130"/>
<stats_credit v="5800"/>
<timeout v="2.0"/>
<deadline v="3.5"/>
<description v="peptoid 19AE1-4-A in water EE"/>
<contact v="starwing.chen@temple.edu"/>

Constraints
([CPU!=ARM CPU!=ARM64])
CPUs >=4