I get the following error message when I use the
command saveamberparmpert in leap:
*** Proper torsion parameters missing ***
atom names: ND1-CG-CB-HB2
atom types: NB-CC-CT-HC =pert=> DNB-DCC-DCT-DHC
Please add a dummy parameter of multiplicity 2
for the pert types to your parameter set.
- e.g. DNB-DCC-DCT-DHC 1 0.0 0. 2.
I have added the missing parameters but I keep getting
the same errors. Any ideas ?
Atom types should be 2 characters - this could be causing it.
Are you using pre-amber6 leap? I think v6 checks the length
of type names.
Bill Ross
Received on Fri Nov 03 2000 - 17:56:12 PST
