Re: [AMBER] Building atom and angle parameters

From: George Tzotzos <gtzotzos.mac.com>
Date: Tue, 27 Jan 2009 19:24:52 +0100

 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
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