Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
Plumed AlphaFold
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Requirements
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Locked files
Deploy
Releases
Package registry
Model registry
Operate
Terraform modules
Monitor
Incidents
Service Desk
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Code review analytics
Issue analytics
Insights
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
Martin Kurečka
Plumed AlphaFold
Commits
3ebd4b21
There was an error fetching the commit references. Please try again later.
Commit
3ebd4b21
authored
10 years ago
by
Carlo Camilloni
Browse files
Options
Downloads
Patches
Plain Diff
ANGLES: fixed manual
fixed the examples
parent
ecd797fe
No related branches found
No related tags found
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
src/multicolvar/Angles.cpp
+2
-2
2 additions, 2 deletions
src/multicolvar/Angles.cpp
with
2 additions
and
2 deletions
src/multicolvar/Angles.cpp
+
2
−
2
View file @
3ebd4b21
...
@@ -58,7 +58,7 @@ The following example instructs plumed to find the average of two angles and to
...
@@ -58,7 +58,7 @@ The following example instructs plumed to find the average of two angles and to
print it to a file
print it to a file
\verbatim
\verbatim
ANGLES ATOMS=1,2,3 ATOMS=4,5,6 MEAN LABEL=a1
ANGLES ATOMS
1
=1,2,3 ATOMS
2
=4,5,6 MEAN LABEL=a1
PRINT ARG=a1.mean FILE=colvar
PRINT ARG=a1.mean FILE=colvar
\endverbatim
\endverbatim
...
@@ -76,7 +76,7 @@ This final example instructs plumed to calculate all the angles in the first coo
...
@@ -76,7 +76,7 @@ This final example instructs plumed to calculate all the angles in the first coo
spheres of the atoms. A discretized-normalized histogram of the distribution is then output
spheres of the atoms. A discretized-normalized histogram of the distribution is then output
\verbatim
\verbatim
ANGLE GROUP=1-38 HISTOGRAM={GAUSSIAN LOWER=0.0 UPPER=pi NBINS=20} SW
T
ICH={GAUSSIAN R_0=1.0} LABEL=a1
ANGLE
S
GROUP=1-38 HISTOGRAM={GAUSSIAN LOWER=0.0 UPPER=pi NBINS=20} SWI
T
CH={GAUSSIAN R_0=1.0} LABEL=a1
PRINT ARG=a1.* FILE=colvar
PRINT ARG=a1.* FILE=colvar
\endverbatim
\endverbatim
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment