Comments (3)
This server is not designed for Lipid molecules. You should look at recent publications on OPLS-AA Lipid force fields for that.
@Navya321 also please attach pdb/mol file, whatever input you used, to exactly diagnose what the problem is.
from ligpargen.
Thanks for the quick response.
Sure, I will sift through the recent publications for the same. I was using the Draw Molecule feature, so there is no pdb/mol file; the molecule was DPPC.
Further, it would be great if you all can come up with an added tool for lipid force field parameters.
Great work though.
Cheers.
from ligpargen.
@Navya321 Sorry Cannot really help if I don't have an input.
Lipid molecules are extremely sensitive to parameterization and need to be carefully crafted, and is beyond the scope of the server.
Best wishes,
Leela
from ligpargen.
Related Issues (20)
- Cannot generate ions HOT 2
- Problemst in creating itp file for acetonitrile(CH3CN) HOT 2
- Problem of installing LigParGen Server Locally HOT 3
- cannot submit my mol2 file.
- Unable to generate topology with graphene HOT 2
- Server Timing Out
- command-line only error: AssertionError: PROPOSED CHARGE IS NOT POSSIBLE: SOLUTE MAY BE AN OPEN SHELL
- BOSSdir seems limited to 80 characters or fewer
- Request for LigParGen command line to stop using /tmp as the only (hardcoded) option for temporary files
- Polyaromatics hydrocarbon molecule cannot been generated
- Unable to generate topology for water HOT 1
- Question about van der Waals parameters for hydrogen atoms
- Fully halogenated molecules cannot be generated
- [BUG] Crash when submitting linear molecules
- Error in generating OPLS-AA for deprotonated PFBS ( [F3C-(CF2)3-SO3]- )
- Non-corresponding atom types in the molecule.xyz file with molecule.key file HOT 1
- ANGfinal error using LigPargen executable
- Issues with Glycerol data generated by ligpargen
- ERROR IN LigParGen output: wrong atom partial charges - GLycerol molecule
- Local Version of LigParGen lacks some Improper Dihedral parameters HOT 1
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from ligpargen.