Molecular dynamics on a PC

Francois Dupradeau Francois-Yves.Dupradeau at sa.u-picardie.fr
Fri Aug 29 09:47:54 EST 1997


Andy Almond wrote:
> 
> Hi,
> 
> I was wondering if anyone has tried running molecular dynamics software
> on a PC running windows NT4 operating system. I am considering moving
> from a UNIX environment if this is possible, however I'm not sure what
> packages are available for the PC or whether you can compile the source
> codes for programs such as CHARMm and xplor.
> 
> If anyone could give me some information on this I would be greatful,
> and what processing speed you can expect from a state-of-the-art PC
> these days, compared with say a silicon graphics machine.
> 
> Regards,
> 
> Andy Almond.
> 
> University Manchester UK.

Hi, 
the last version (5.0, I believe) of hyperchem (hypercub Inc.) works
with win NT 4.0. You can perform molecular dynamics with the amber
forcefield.

I think you can not compare the speed of the pc and unix world even with
a very very very .... powerfull PC. We did it and we change for a
silicon graphics station.



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