diff --git a/tools/i-pi/ipi/engine/thermostats.py b/tools/i-pi/ipi/engine/thermostats.py index 5375bb917e4349d3b550200f24c759d3bfa0a6c3..1fb048ec27c8becd0c96f6d526bf97fce0f3f0c9 100644 --- a/tools/i-pi/ipi/engine/thermostats.py +++ b/tools/i-pi/ipi/engine/thermostats.py @@ -691,7 +691,7 @@ class ThermoNMGLE(Thermostat): """ def get_C(self): - """Calculates C from temp (if C is not set explicitely).""" + """Calculates C from temp (if C is not set explicitly).""" rv = np.ndarray((self.nb, self.ns+1, self.ns+1), float) for b in range(0,self.nb): diff --git a/tools/moltemplate/src/moltemplate_force_fields/amber/amberparm2lt.sh b/tools/moltemplate/src/moltemplate_force_fields/amber/amberparm2lt.sh index 7ef489d5f099cbcee119390b39de97905b73475b..92e7e2c42a71203c4a2131c3ab72cf99c0694676 100755 --- a/tools/moltemplate/src/moltemplate_force_fields/amber/amberparm2lt.sh +++ b/tools/moltemplate/src/moltemplate_force_fields/amber/amberparm2lt.sh @@ -159,7 +159,7 @@ echo " # ---------------------------------------------------------------------- #echo " # This file was automatically generated by \"common/amber/amberparm2lt.sh\"" echo " # The basic atom nomenclature and conventions are explained here:" echo " # http://ambermd.org/antechamber/gaff.pdf" -echo " # For reference, the original gaff.dat file and format documenation are here:" +echo " # For reference, the original gaff.dat file and format documentation are here:" echo " # http://ambermd.org/AmberTools-get.html" echo " # http://ambermd.org/formats.html#parm.dat" echo " # ----------------------------------------------------------------------" diff --git a/tools/moltemplate/src/moltemplate_force_fields/gaff.lt b/tools/moltemplate/src/moltemplate_force_fields/gaff.lt index 82063a721b635519b8e80dc792ff44095506f02a..683dbf4ee42e01d7556487963fa1a659809b2b53 100644 --- a/tools/moltemplate/src/moltemplate_force_fields/gaff.lt +++ b/tools/moltemplate/src/moltemplate_force_fields/gaff.lt @@ -44,7 +44,7 @@ GAFF { # ---------------------------------------------------------------------- # The basic atom nomenclature and conventions are explained here: # http://ambermd.org/antechamber/gaff.pdf - # For reference, the original gaff.dat file and format documenation are here: + # For reference, the original gaff.dat file and format documentation are here: # http://ambermd.org/AmberTools-get.html # http://ambermd.org/formats.html#parm.dat # ---------------------------------------------------------------------- diff --git a/tools/moltemplate/src/ttree.py b/tools/moltemplate/src/ttree.py index 87c385f27bfb98ce4c6b96b4d561ab2a964334be..cddc9b8ac677bc273b0c91e73ff244ed6952b3a8 100644 --- a/tools/moltemplate/src/ttree.py +++ b/tools/moltemplate/src/ttree.py @@ -5177,7 +5177,7 @@ def BasicUI(settings, # Parsing, and compiling is a multi-pass process. - # Step 1: Read in the StaticObj (class) defintions, without checking + # Step 1: Read in the StaticObj (class) definitions, without checking # whether or not the instance_children refer to valid StaticObj types. sys.stderr.write('parsing the class definitions...') static_tree_root.Parse(settings.lex) diff --git a/tools/msi2lmp/frc_files/pcff.frc b/tools/msi2lmp/frc_files/pcff.frc index ce24f000cb7196b38563b331ad41e69316ac7404..a06b04202a4f9e641d1c8c702ae42301ea38c7f4 100644 --- a/tools/msi2lmp/frc_files/pcff.frc +++ b/tools/msi2lmp/frc_files/pcff.frc @@ -158,7 +158,7 @@ 1.0 1 op 15.99940 O 2 sp2 aromatic in 5 membered ring 3.0 10 osh 15.99491 O 2 oxygen atom in terminal hydroxyl group on silicon 1.0 1 osi 16.00000 O 2 siloxane oxygen - 3.0 10 oss 15.99491 O 2 oxygen atom betweem two silicons + 3.0 10 oss 15.99491 O 2 oxygen atom between two silicons 2.0 5 oz 15.99940 O 2 ester oxygen in carbonate 1.0 1 p 30.97380 P 4 general phosphorous atom 1.0 1 p= 30.97380 P 5 phosphazene phosphorous atom