Dear amber users,
I am trying to use tleap to make toplogy file for
bis(trifluoromethylsulfonyl)imide (Tf2N) but there are some missing
parameters and tleap complains that cannot make toplogy file. Is anybody can help
to find missing parameters.
the message from leap:
Building angle parameters.
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: ne - s6 - o
Could not find angle parameter: ne - s6 - o
Could not find angle parameter: ne - s6 - c3
Could not find angle parameter: o - s6 - ne
Could not find angle parameter: o - s6 - ne
Could not find angle parameter: s6 - ne - s6
Could not find angle parameter: f - c3 - s6
Could not find angle parameter: f - c3 - s6
Could not find angle parameter: c3 - s6 - ne
Could not find angle parameter: f - c3 - s6
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: s6 - c3 - f
Could not find angle parameter: ne - s6 - o
Could not find angle parameter: ne - s6 - o
Could not find angle parameter: ne - s6 - c3
Could not find angle parameter: o - s6 - ne
Could not find angle parameter: o - s6 - ne
Could not find angle parameter: s6 - ne - s6
Could not find angle parameter: f - c3 - s6
Could not find angle parameter: f - c3 - s6
Could not find angle parameter: c3 - s6 - ne
Could not find angle parameter: f - c3 - s6
Building proper torsion parameters.
** No torsion terms for o-s6-ne-s6
** No torsion terms for o-s6-ne-s6
** No torsion terms for s6-ne-s6-o
** No torsion terms for s6-ne-s6-o
** No torsion terms for s6-ne-s6-c3
** No torsion terms for c3-s6-ne-s6
** No torsion terms for o-s6-ne-s6
** No torsion terms for o-s6-ne-s6
** No torsion terms for s6-ne-s6-o
** No torsion terms for s6-ne-s6-o
** No torsion terms for s6-ne-s6-c3
** No torsion terms for c3-s6-ne-s6
Building improper torsion parameters.
total 0 improper torsions applied
Building H-Bond parameters.
Parameter file was not saved.
Quit
Regards
Babak
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Received on Mon Sep 22 2008 - 05:07:28 PDT
