Hi,
I am working with peptide simulation which contains phospho serine followed by proline. when I generate topology file with tleap from ambertool16 I am getting an error "Could not find angle parameter: O - C - TN"
I am using following forcefield parameter file in tleap
leaprc.protein.ff15ipqleaprc.water.spceb
leaprc.phosaa10
however this works fine if i use leaprc.ff14ipq and leaprc.phosaa10. It looks like there is missing parameter for amide bond between SEP and proline.
pls help me to add this missing parameter or let me know if it is ok to borrow it from ff14ipq.
Regards,
Vadiraj Kurdekar,
The Centre for Chemical Biology and Therapeutics (CCBT),
Institute for Stem Cell Biology and Regenerative Medicine (InStem),
National Centre for Biological Sciences,
GKVK, Bellary Road,Bangalore 560065, India.
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Received on Thu Aug 25 2016 - 00:30:02 PDT
