[gmx-users] How PRODRG generate coordinates??

[Daan van Aalten]

Hi Rahul

It by default energy minimises your input coordinates - but if you examine
the input form you will see there is a button to switch off EM.

Daan

On Sat, 3 Sep 2005, Rahul Karyappa wrote:

>
> Dear all,
>
>    I am converting .pdb file to .gro and .top from PRODRG
> server website. After converting it I found that the coordinates of the
> atoms are different . Can anybody tell me how it changes the
> coordinates? What is the method? I need to find it out because PRODRG
> does not support NA+ atoms and I want to generate coordinates according
> to PRODRG method. Please help me out.
>
> Thanking you in advance.
>
>
> Rahul Karyappa
>
> NCL, India
>
>
>
>
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Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
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