Skip to content

Commit cd906fc

Browse files
committed
update in-line comments in MD integrator routines
1 parent 982f2d5 commit cd906fc

File tree

10 files changed

+33
-1126
lines changed

10 files changed

+33
-1126
lines changed

other/biotypes.txt

Lines changed: 15 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -1044,8 +1044,18 @@ biotype 1253 OP "3'-Phosphate OP DNA"
10441044

10451045
biotype 2001 O "Water"
10461046
biotype 2002 H "Water"
1047-
biotype 2003 NA "Sodium Ion"
1048-
biotype 2004 K "Potassium Ion"
1049-
biotype 2005 MG "Magnesium Ion"
1050-
biotype 2006 CA "Calcium Ion"
1051-
biotype 2007 CL "Chloride Ion"
1047+
biotype 2003 EP "Water"
1048+
biotype 2004 LI "Lithium Ion"
1049+
biotype 2005 NA "Sodium Ion"
1050+
biotype 2006 K "Potassium Ion"
1051+
biotype 2007 RB "Rubidium Ion"
1052+
biotype 2008 CS "Cesium Ion"
1053+
biotype 2009 MG "Magnesium Ion"
1054+
biotype 2010 CA "Calcium Ion"
1055+
biotype 2011 SR "Strontium Ion"
1056+
biotype 2012 BA "Barium Ion"
1057+
biotype 2013 F "Fluoride Ion"
1058+
biotype 2014 CL "Chloride Ion"
1059+
biotype 2015 BR "Bromide Ion"
1060+
biotype 2016 I "Iodide Ion"
1061+
biotype 2017 ZN "Zinc Ion"

0 commit comments

Comments
 (0)