AMBER Archive (2009)

Subject: Re: [AMBER] linux version for Amber10

From: liangchen88_at_ucla.edu
Date: Sat Nov 07 2009 - 21:59:53 CST

Could you please tell more details about the linux version and
distributions you are using?
I run the test,but one file in Sander about MD etc can not go
through(I wait for a long time).So,I guess it may have a relationship
with the linux version.
Additionally, I try to run a tutorial.According to the steps,we hope
to get PDB file from the Nucgen.dat(a little bit like homolog
modeling),but the final PDB we got is empty.So,I think it may have
some relationship with linux version
we are using,which leads to the installing error.

Quoting Peter Schmidtke <pschmidtke_at_mmb.pcb.ub.es>:

> I have seen running Amber10 in different distributions, so for example
> openSuse 11.1 64 bit, Ubuntu, FC, Centos.
>
> What is the nature of your problem? Did you try to compile sander etc with
> the ifort compiler from Intel? We noticed a huge increase in calculation
> performance compared to gfortran the compiler.
>
> Best regards.
>
> Peter
>
>
> On Sat, 07 Nov 2009 07:28:05 -0800, liangchen88_at_ucla.edu wrote:
>> What is the best version of linux for Amber10?
>> my running process of Amber10 always has some problem,I guess it may
>> have relationship with the linux system we are using.
>>
>> _______________________________________________
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>
> --
>
> Peter Schmidtke
>
> ----------------------
> PhD Student at the Molecular Modeling and Bioinformatics Group
> Dep. Physical Chemistry
> Faculty of Pharmacy
> University of Barcelona
>
>
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