1. General topics
  3. Tools
  5. Incomplete ring in HIS86

normal Incomplete ring in HIS86

  • peb2011
  • peb2011's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
11 years 7 months ago #1178 by peb2011
Incomplete ring in HIS86 was created by peb2011
Dear Sir/Madam,

I want to create a topology file of a protein with the corresponding mapping of cg and fg atoms.

However, when I use the command:

pdb2gmx -f protein.pdb -p topology_protein.top

where protein.pdb is CG, I keep getting the following mistake:
Program pdb2gmx, VERSION 3.3.1
Source code file: hizzie.c, line: 267

Fatal error:
Incomplete ring in HIS86

I tried with other CG pdb's of different proteins, and there is always a mistake like the one above, alluding to some "Incomplete HIS".

What can the problem be?

I use the GROMOS96 43a1 force field

Thank you in advance for your attention,

Peb

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

More
11 years 6 months ago #1180 by xavier
Replied by xavier on topic Incomplete ring in HIS86
You should have a look a the reverse transformation tutorial ... and follow the instructions.

peb2011 wrote: Dear Sir/Madam,

I want to create a topology file of a protein with the corresponding mapping of cg and fg atoms.

However, when I use the command:

pdb2gmx -f protein.pdb -p topology_protein.top

where protein.pdb is CG, I keep getting the following mistake:

Program pdb2gmx, VERSION 3.3.1
Source code file: hizzie.c, line: 267

Fatal error:
Incomplete ring in HIS86

I tried with other CG pdb's of different proteins, and there is always a mistake like the one above, alluding to some "Incomplete HIS".

What can the problem be?

I use the GROMOS96 43a1 force field

Thank you in advance for your attention,

Peb

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

  1. General topics
  3. Tools
  5. Incomplete ring in HIS86
Time to create page: 0.088 seconds