Problem solved. Thanks On Wed, Apr 9, 2025 at 1:17 PM Firdous Tarique <kahkashantari...@gmail.com> wrote:
> Dear everyone > > > I am trying to refine my protein using ISOLDE in ChimeraX which is failing > with the following error. > > > "At least one residue in your model does not match any templates in the MD > forcefield. This may be due to missing or superfluous atoms, or an unusual > residue that has not yet been parameterised. Launching the unparameterised > residue widget to help sort this out." > > > The protein contains two heme molecules and Ca ions which obviously is the > reason why it is failing. Once these molecules are deleted it runs fine. > > > My question is how to add that specific MD force field for these molecules > in order to run the ISOLDE in ChimeraX. > > > Any input would be appreciated. > > > Firdous > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
