VMD-L Mailing List

From: Mubarak Alamri (mubalamri_at_gmail.com)
Date: Sat Dec 14 2019 - 18:30:51 CST

Hi
I am trying to run MD simulation for ligand-protein complex using QwikMD.
I parametrize the ligand using https://cgenff.umaryland.edu/ following the
protocol
However, I got this error message after running the simulation:

*Charm++ fatal error:*

* FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG321 NG301 (ATOMS 6407
6408)*

* ERROR) Error connecting to localhost on port 3000*

I open the port 3000 on my win10 and that did not help.

I attached the error .log file as well as a screenshot from VMD command
window.

Thank you in advance I appreciate your help

M. Alamri


  • application/octet-stream attachment: error.log
1.PNG