Update README.md

README.md

@@ -6,22 +6,25 @@
 
 # Description: 
 
-* This code creates a classical force-field for a peptide containing 
+This code creates a classical force-field for a peptide containing 
 4-Fluorinated Proline (non-natural) residues. (ACE-PRF-NME by default, can be changed in tleap_script.txt)
+Code supports the following 4-fluorinated prolines:
+* PRF is 4R-fluoro proline residue
+* PSF is 4S-fluoro proline residue
+
+As an example you may choose the following sequence (shown in snapshot below): 
+ACE-GLY-GLY-PRF-GLY-GLY-NME
+
 * You can use the code for canonical peptides too.
 * Creates input files for gromacs or amber or charmm (or openMM).
 * Adds a TIP3P waterbox. (1nm^3 default, can be changed in tleap_script.txt)
 * Creates a plumed.dat file that adds pucker correction for fluorinated proline residues.
 
+You can select a peptide of your choice by editing the tleap_script.txt file.
 * As an example you may choose the following sequence (shown in snapshot below): 
 ACE-GLY-GLY-PRF-GLY-GLY-NME
 
-Code supports the following 4-fluorinated prolines:
-* PRF is 4R-fluoro proline residue
-* PSF is 4S-fluoro proline residue
-
 
-You can select a peptide of your choice by editing the tleap_script.txt file.
 
 ![Alt text](code.png/code.png.001.png?raw=true "Title")