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
4cb144b8
There was an error fetching the commit references. Please try again later.
Commit
4cb144b8
authored
10 years ago
by
Giovanni Bussi
Browse files
Options
Downloads
Patches
Plain Diff
Fixed manual for patch
parent
40aeb9bb
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
user-doc/Installation.txt
+13
-3
13 additions, 3 deletions
user-doc/Installation.txt
with
13 additions
and
3 deletions
user-doc/Installation.txt
+
13
−
3
View file @
4cb144b8
...
...
@@ -20,8 +20,18 @@ existing trajectories or to play with the included Lennard-Jones code.
Since PLUMED is mostly used to bias on the fly simulations
performed with serious molecular dynamics packages,
below you can find instructions about how to
\link Patching link PLUMED \endlink
to your favorite MD code.
\link Patching patch \endlink
your favorite MD code so that it can be combined with PLUMED.
Again, for the impatients, something like this could do the job:
\verbatim
> source /plumed/root/dir/sourceme.sh
> cd /md/root/dir
> plumed patch -p
\endverbatim
Then compile your MD code.
For some MD software these instructions are not sufficient,
and you are invited to read well the instructions
at the end of this page.
Notice that MD codes could in principle be "PLUMED ready"
in their official distribution. In this case, probably
you have to compile PLUMED first as a library then check their manual to
...
...
@@ -257,7 +267,7 @@ You can force plumed to run anyway using the option --standalone-executable:
Anyway, many features will not be available in this way.
This is currently the only way to use a PLUMED static executable on Windows.
\section Installing Installing PLUMED
\section Installing
Plumed
Installing PLUMED
It might be convenient to install PLUMED in a predefined location.
This will allow you to remove the original compilation directory,
...
...
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