[gmx-users] invalid angle type 0
jarbing09 at gmail.com
Thu Jul 23 09:39:40 CEST 2009
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?
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