AMBER Archive (2003)

Subject: troubles on RS6000

From: Wayne Dawson (dawson_at_nih.go.jp)
Date: Mon Apr 28 2003 - 04:37:50 CDT

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://www.amber.ucsf.edu/amber/tutorial/methane/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 

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