[Chimera-users] Error in energy minimizaion - reg

[Eric Pettersen]

Hi Selva,
	I am able to carry out minimization without problem on 1G6G, which has a TPO residue.  Does your TPO residue and its adjacent residues have all their atoms present?  You might have to send me the structure if that's not the problem.

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab


> On Jan 21, 2023, at 4:29 AM, SELVA BABU SELVAMANI via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> 
> Dear Developers,
> 
> I did phosphorylation of amino acid in protein, then I was about to  do energy minimization using Chimera MINIMIZE STRUCTURE module, but it is throwing the error ( I mentioned below ).
> 
> ****************************************************
> Running PARMCHK for PP.pdb
> Using main parameter file parm10.dat modified by heme-iron.frcmod, frcmod.ff14SB, frcmod.ionsjc_tip3p
> Chimera/MMTK cannot minimize structure, probably because there is no parameter for ''No parameters for bond Atom 0.TPO_144__0_0_1_145.N (atom type n) - Atom 0.GLN_143__0_0_1_144.peptide.C (atom type C)''
> ********************************************
> 
> Please help me to sort out the issue.
> 
> I also tried to do phosphorylate using Chimera, even that structure also getting the same error while doing energy minimization.
> -- 
> Have a nice day,
> Thanks & Regards,
> SELVA BABU S
> M.Sc Scholar (Bioinformatics)
> TNAU, Coimbatore
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