- Posts: 8
PI34 in insane.py
- cchan2242
-
Topic Author
- Offline
- Fresh Boarder
Less
More
9 years 6 months ago #4130
by cchan2242
PI34 in insane.py was created by cchan2242
Hi all,
I am constructing a membrane involving PI34. However I found PI34 option in insane.py contains tails of CU1,2,3,4 which does not have corresponding force-field parameters (and also differs from PI34 topology in the force-field files). Also by downloading the glycolipids.zip on the website and also found those particles in the start.gro (that might only mean the start.gro was generated using insane.py). The question is, if we do not have force-field for the particles so what why insane.py was written like this and what are those particles?
I am constructing a membrane involving PI34. However I found PI34 option in insane.py contains tails of CU1,2,3,4 which does not have corresponding force-field parameters (and also differs from PI34 topology in the force-field files). Also by downloading the glycolipids.zip on the website and also found those particles in the start.gro (that might only mean the start.gro was generated using insane.py). The question is, if we do not have force-field for the particles so what why insane.py was written like this and what are those particles?
Please Log in or Create an account to join the conversation.
- helgi
-
- Offline
- Administrator
Less
More
- Posts: 54
8 years 5 months ago #5156
by helgi
Replied by helgi on topic PI34 in insane.py
In the initial version of insane there were some lipid templates for alternative lipid force fields and not the main force fields. This should be fixed now and newer versions of insane should have lipid templates compatible with the main Martini lipid topologies.
Cheers,
- Helgi
Cheers,
- Helgi
Please Log in or Create an account to join the conversation.
Time to create page: 0.080 seconds