AMBER Archive (2004)

Subject: RE: AMBER: sander of AMBER 8 doesn't work

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Jun 01 2004 - 13:56:29 CDT

Dear Hanqiao,

We will need more information in order to be able to help you here. What
architecture are running on? A single CPU desktop or a cluster?, what
opperating system, what compilers did you use to compile sander? Also, most
importantly have you run the test cases in $AMBERHOME/test do they all pass
or are there errors?

All the best
Ross

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|\oss Walker

| Department of Molecular Biology TPC15 |
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> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Feng, Hanqiao (NIH/NCI)
> Sent: 01 June 2004 11:40
> To: 'amber_at_scripps.edu'
> Subject: AMBER: sander of AMBER 8 doesn't work
>
> Hi all
> I am new user of amber 8.0. I met problem to run sander.
> When I follow the
> tutorial under amber.scripps.edu, the eleap or xleap part
> works very well, I
> can got the sample prepared. when I issue sander, even for simple
> minimization, it stands there no response, no complain. When
> I check the
> .out file. it was empty. Could you please tell me what's wrong.
>
> Thanks,
> Hanqiao
>
> Lab of Biochemistry
> NCI/NIH
> Bethesda, MD
>
>
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