Dear all, I 've prepared POPC and protein with ffG53a6 forcefield. I've also built the ligand in the protein with ffG53a6, but it is not working. Many atom types in the ligand which i work on is not found in ffG53a6*.itp but if i change the forcefield to ffgmx, it work fine. I have tried to add-in those unrecognize atomtype into the ffG53a6bon.itp and ffG53a5nb.itp from ffgmx*.itp.The atomtype error is solved But another error again (invalid angle type 0). I'm not sure went wrong. I've check the angle types in the ffG53a6, i couldn't see what cause this. Please advice. May i know is it possible to use 2 differents forcefield in 1 system since the ligand work well with ffgmx and ffG53a6 is good for lipid?
regards, bing
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