###
# Simulations of hNaa50p/10p (human) with MLG and EEE substrates (PloS ONE paper)
###

Simulations of the model of 10p with 3 different substrates :
drwxr-xr-x 13 cedricg cbu    4096 Jul  3  2012 "10p_glu_glu_glu_ct3_-_1z4r-aco" (5)
drwxr-xr-x 13 cedricg cbu    4096 Jun 29  2012 "10p_met_leu_gly_ct3_-_1z4r-aco" (5)
drwxr-xr-x  6 cedricg cbu    4096 Jul  4  2012 "10p_ser_glu_glu_ct3_-_1z4r-aco" (2)

Simulation of 50p xtal with aco and no pept :
drwxr-xr-x  4 cedricg cbu    8192 Sep 25 13:58 50p_-_1z4r-aco (2)

Simulations of 50p with 4 substrates :
drwxr-xr-x 12 cedricg cbu    4096 May 24  2012 "50p_glu_glu_glu_ct3_-_1z4r-aco" (5)
drwxr-xr-x 14 cedricg cbu    8192 Oct 12 08:52 "50p_met_leu_gly_ct3_-_1z4r-aco" (5)
drwxr-xr-x  6 cedricg cbu    4096 Sep 26 15:47 "50p_met_lys_gly_ct3_-_1z4r-aco" (2)
drwxr-xr-x  5 cedricg cbu    4096 Feb 15  2012 "50p_ser_leu_gly_ct3_-_1z4r-aco" (2)

Simulations of 50p point mutants can be found in "MUTANTS_50P"

Note : (Number of replicas)


Organisation of the directories, example of "50p_met_leu_gly_ct3_-_1z4r-aco" :
1,2,3,4,5 : one directory for each replica of 10ns.
Directories merge1, merge2, merge3 and merge4 correspond to analysis on windows from 0.5-2.5, 2.5-5, 5-7.5 and 7.5-10ns, respectively.
In each of these directories can be found sub-directories :
 inp : contains input files
 out : contains output/log files
 scr : contains all coordinates and trajectory files
 lib : libraries (top/par)