Hi,
I'm trying to model a modified residue using the FF14SB force field, but when I run tleap, I get the following error:
"Could not find angle parameter for atom types: CT – C – CX."
I'm now trying to find an appropriate angle parameter for these atoms, but I couldn't locate it in either parm10.dat or GAFF. I came across a paper suggesting that if the angle parameter for A–B–C is missing, one possible approach is to estimate it by averaging the parameters for A–B–A and C–B–C. However, in my case, I couldn’t find the angle parameter for CX–C–CX, although CT–C–CT is available.
What would be the best strategy in this case? I would appreciate any suggestions or guidance.
Thank you!
Adel N
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Received on Fri May 23 2025 - 11:30:02 PDT
