Hi,
I am trying to get amber7 working on an RS6000, but I seem to
have a number of problems probably in configuration.
In the tutorial
(
http://amber.ch.ic.ac.uk/tutorial/index.html),
I've been trying to get the xleap to carry out the command
> saveamberparm x mebox.top mebox.crd
But I always get the following error message
Building bond parameters
Could not find bond parameter for: C-H
Could not find bond parameter for: C-H
Could not find bond parameter for: C-H
Could not find bond parameter for: C-H
Building angle parameters
Could not find any angle parameters H-C-H
etc.
parameter file was not saved.
> desc x.1
Residue name: MTH
Residue sequence number: 1
Residue PDB sequence number: 0
Type: undefined
connection atoms:
Improper torsions:
Contents:
A<H5 5>
A<H4 4>
A<H3 3>
A<H2 2>
A<C1 1>
>
The roar-2.1 also has trouble because it cannot seem to read the
following
in the make files.
..F.o: $<
../Compile L3 -P $<
Has anyone else had this trouble with the RS6000?
thank you,
Wayne
--
---------------------------------------------------------------------
Wayne Dawson, Research Assoc. \ / __\__/_. __\____ -+-
Bioactive Molecules \ --.-- | )__( | < > \ ~_~_~
Natl Inst of Infectious Diseases - ---- +------+ ~|~ - |___|
1-23-1 Toyama, Shinjuku-ku / |::::| ---+-^ ---+--- / /|/
Tokyo 162-8640 Japan | ---- \ | . | | |X
dawson.nih.go.jp ~~-*___.. --^ -~ ~~-*___..
Received on Mon Apr 28 2003 - 14:53:02 PDT
