[Chimera-users] Error in energy minimizaion - reg

SELVA BABU SELVAMANI selkash2016 at gmail.com
Sat Jan 21 04:29:22 PST 2023


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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