unanswered Problems with insane

  • aa456
  • aa456's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
4 months 4 weeks ago #9435 by aa456
Problems with insane was created by aa456
I am using the insane script and nanodisc tutorial to add a nanodisc inside of an APOA1 protein. This was successful when using POPC, but I am now having errors when using DMPC.o. Insane is running, and I get the number of lipids and charge, but some errors show up with python, and I get no final output files .

File "/usr/local/bin/insane", line 8, in <module>
sys.exit(cli())
File "/usr/local/lib/python2.7/dist-packages/insane/cli.py", line 164, in cli
sys.exit(main(sys.argv))
File "/usr/local/lib/python2.7/dist-packages/insane/cli.py", line 157, in main
box=box,
File "/usr/local/lib/python2.7/dist-packages/insane/core.py", line 1351, in write_all
write_gro(oStream, title, atoms, box.tolist())
File "/usr/local/lib/python2.7/dist-packages/insane/core.py", line 1225, in write_gro
for idx, atname, resname, resid, x, y, z in atoms:
File "/usr/local/lib/python2.7/dist-packages/insane/core.py", line 323, in __iter__
resname = rn[:-2]


Because of the machine I'm on I can't use an environment. Is there an updated name for DMPC i could try or any other suggestions?


Thanks!

Please Log in or Create an account to join the conversation.

Time to create page: 0.094 seconds