Hi everybody,
I'm unable to save protein parameters. On
> protein = loadmol2 <myprotein.mol2
> saveamberparm protein protein.prmtop protein.inpcrd
The program aborts giving:
For atom: .R<THR3 1>.A<N 1> Could not find type: N.pl3
For atom: .R<THR3 1>.A<CA 2> Could not find type: C.3
For atom: .R<THR3 1>.A<C 3> Could not find type: C.2
For atom: .R<THR3 1>.A<O 4> Could not find type: O.2
For atom: .R<THR3 1>.A<CB 5> Could not find type: C.3
For atom: .R<THR3 1>.A<OG1 6> Could not find type: O.3
For atom: .R<THR3 1>.A<CG2 7> Could not find type: C.3
For atom: .R<PRO4 2>.A<N 1> Could not find type: N.am
For atom: .R<PRO4 2>.A<CA 2> Could not find type: C.3
etc, etc.
Any ideas? Many thanks in advance
George
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Received on Fri Jan 30 2009 - 01:17:15 PST
