(GRO_A7) projects p13720-p13732 to FAH

[juanmit]

Releasing new SMP A7(GRO_A7) projects to FAH

Projects number: p13720-13732 on vav3.ocis.temple.edu

These projects simulate the folding of several mutants of Villin peptide, a 3-helical structured protein that folds on the few microsecond time scale. These projects are similar to p8670-8680. We are trying to understand how mutations change the folding landscape with different force fields, and how we can use Markov State Model & Surprisal approaches to better identify mutation-induced conformations. (http://fah-web.stanford.edu/cgi-bin/fah ... ed?p=13720)

stats credit: 423
timeout: 6.5
deadline 14.1
k-factor v=0.75
number of atoms:
13771 (p13732)
13773 (p13720)
13777 (p13729)
13778 (p13724, 13728,13730,13731)
13780 (p13722,13723,13725)
13781 (p13721)
13782 (p13726)
13787 (p13727)

CPU restrictions: [CPUs >= 1 CPUS <= 27 CPUS!=7 CPUS!=11]
Happy folding.