Loading function for thermodynamic integration function TIcurve()

Description

Returns a list of matrices holding three columns (lambda state point, value and error) for every file.

Usage

load_TIcurve( files,
              mdEngine = "GROMOS" )

Arguments

Author(s)

Christian Margreitter

Examples

# loading
load_TIcurve( c( system.file( "extdata/TIcurve_example.txt.gz", package = "MDplot" ) ) )

Results

R version 3.3.1 (2016-06-21) -- "Bug in Your Hair"
Copyright (C) 2016 The R Foundation for Statistical Computing
Platform: x86_64-pc-linux-gnu (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> library(MDplot)
Loading required package: MASS
Loading required package: RColorBrewer
Loading required package: gplots

Attaching package: 'gplots'

The following object is masked from 'package:stats':

    lowess

Loading required package: gtools
> png(filename="/home/ddbj/snapshot/RGM3/R_CC/result/MDplot/load_TIcurve.Rd_%03d_medium.png", width=480, height=480)
> ### Name: load_TIcurve
> ### Title: Loading function for thermodynamic integration function
> ###   'TIcurve()'
> ### Aliases: load_TIcurve
> ### Keywords: thermodynamic integration
> 
> ### ** Examples
> 
> # loading
> load_TIcurve( c( system.file( "extdata/TIcurve_example.txt.gz", package = "MDplot" ) ) )
[[1]]
         V1          V2        V3       V4
 [1,] 0.000  70.6728992 0.9779597 15.66871
 [2,] 0.050  72.1676402 1.2490862 16.23625
 [3,] 0.100  69.6754518 0.6666403 16.98315
 [4,] 0.150  68.4934444 0.8949250 17.84841
 [5,] 0.200  64.2735409 0.8117664 17.83949
 [6,] 0.250  67.2477093 0.9803661 18.97459
 [7,] 0.300  61.4080938 0.8264187 18.62204
 [8,] 0.350  59.7371239 0.7567702 20.81682
 [9,] 0.400  57.7425588 0.7203468 21.33566
[10,] 0.450  55.1339043 0.5494124 22.62585
[11,] 0.500  52.8220525 0.7202825 25.33042
[12,] 0.550  48.0230784 0.6059083 27.92609
[13,] 0.600  38.2991351 1.0791823 44.54838
[14,] 0.650  -0.9665448 3.0670393 65.78960
[15,] 0.700 -12.3715351 0.7424810 39.65973
[16,] 0.750  12.1538035 0.4968396 22.25272
[17,] 0.800  38.4030003 0.6138009 17.66457
[18,] 0.825  50.3454393 0.4347878 16.41228
[19,] 0.850  60.6411194 0.4086155 17.07396
[20,] 0.875  70.6331438 0.4434030 17.19864
[21,] 0.900  78.8147193 0.3073863 19.45543
[22,] 0.950  97.2657422 0.2690783 22.74265
[23,] 1.000 120.4053780 1.2807035 34.37515

> 
> 
> 
> 
> 
> dev.off()
null device 
          1 
>