Skip to content

ricalessandri/evaporate

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

26 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

evaporate

Generate soft matter blends via simulated solvent evaporation

Solvent evaporation protocol implemented as a bash script (which assumes the use of GROMACS) used to produce soft matter morphologies as described in JACS 2017, 139, 3697-3705. All the files required to run the evaporation of JACS 2017, 139, 3697-3705 and JMCA 2017, 5, 21234-21241 can be found at the Martini portal.

If you find this useful please cite JACS 2017, 139, 3697-3705.


alt text

Some morphologies (from JACS 2017, 139, 3697-3705 and Chemrxiv 2020) are available on Figshare.

License


Copyright 2018 University of Groningen

Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at

      http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.

The full text of the license is available in the source repository.

About

Generate soft matter blends via simulated solvent evaporation

Topics

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages