From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Mon Sep 03 2018 - 11:52:35 CDT
Hi Dhiraj,
Chances are you did not cap (ie. patch the c-terminus) the protein
properly. Try using psfgen instead of QwikMD.
Rgds,
Victor
On 09/02/2018 08:45 PM, Dhiraj Srivastava wrote:
> Hi all
> I am trying to simulate protein complex fragment where I want
> to cap N terminus of one protein and C terminus of other to avoid
> non-physiological interaction. However NAMD is complaining about
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR C OC (ATOMS 7194 7203)
>
> which parameter file do I need to use for ACE and CT3 capping? I used
> QuickMD to generate the files.
>
> Thank you
> Dhiraj
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:21:23 CST