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
6eaede2a
There was an error fetching the commit references. Please try again later.
Commit
6eaede2a
authored
7 years ago
by
Giovanni Bussi
Browse files
Options
Downloads
Patches
Plain Diff
doc
parent
94e8ad4f
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/bias/ReweightTemperature.cpp
+2
-2
2 additions, 2 deletions
src/bias/ReweightTemperature.cpp
with
2 additions
and
2 deletions
src/bias/ReweightTemperature.cpp
+
2
−
2
View file @
6eaede2a
...
@@ -48,12 +48,12 @@ The \ref HISTOGRAM as a function of the distance between atoms 1 and 2 that woul
...
@@ -48,12 +48,12 @@ The \ref HISTOGRAM as a function of the distance between atoms 1 and 2 that woul
had been run at the lower temperature of 300 K is estimated using the data from the higher temperature trajectory and output
had been run at the lower temperature of 300 K is estimated using the data from the higher temperature trajectory and output
to a file.
to a file.
\
verbatim
\
plumedfile
x: DISTANCE ATOMS=1,2
x: DISTANCE ATOMS=1,2
aa: REWEIGHT_TEMP TEMP=500 REWEIGHT_TEMP=300
aa: REWEIGHT_TEMP TEMP=500 REWEIGHT_TEMP=300
hB: HISTOGRAM ARG=x GRID_MIN=0.0 GRID_MAX=3.0 GRID_BIN=100 BANDWIDTH=0.1 LOGWEIGHTS=aa
hB: HISTOGRAM ARG=x GRID_MIN=0.0 GRID_MAX=3.0 GRID_BIN=100 BANDWIDTH=0.1 LOGWEIGHTS=aa
DUMPGRID GRID=hB FILE=histoB
DUMPGRID GRID=hB FILE=histoB
\end
verbatim
\end
plumedfile
*/
*/
//+ENDPLUMEDOC
//+ENDPLUMEDOC
...
...
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