ISISNeutronMuon / ISISNeutronMuon/MDMC

Adding AMBER force field

Open
#1,024 0 comments 0 reactions 0 assignees View on GitHub
enhancement P1
Dominant language
Python
Stars
4
Forks
0
Avg merge
2d 4h
Merged PRs (30d)
5

Description

**Is your feature request related to a problem? Please describe.**
It is an additional force field which will be very useful for the refinement of parameters

**Describe the solution you'd like**
Adding the force field file as it was done in other examples

**Describe alternatives you've considered**
It is an additional alternative which can be useful for biomolecules

**Additional context**
Nothing to add

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by locating the existing force-field files and examples referenced in the issue, then compare their format and integration points. Add the AMBER force-field file following those examples and verify that it is available for biomolecular parameter refinement.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Feature
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.