VMD-L Mailing List

From: Aaron Oakley (aarono_at_uow.edu.au)
Date: Thu May 02 2013 - 18:50:39 CDT

Sounds like you have a protein with an unusual ligand or post-translational modification
for which there are no CHARMM parameters. Not possible to tell without more details.


On 02/05/2013, at 7:14 PM, Ф¸»¹ó wrote:

Dear all,
I run a coarse grained MD, and there was a problem when i was running the minimazation step, and the error is:
FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR NOH P4 (ATOMS 292 294)

I think the reason is because my protein is not correct, which means i need to check the completeness of the protein, can anyone tell me whether it is right?
BW
Fugui