[gmx-users] PRODRG question

[Daan van Aalten]

"horribly wrong" "not very logical and consistent" are not very
constructive comments - send us your PDB file and tell us why you think
it's wrong.

cheers

Daan

On Thu, 10 Jun 2004, Peter Zoon wrote:

> Hi everyone,
>
> Does anybody know how the charges and the charge-groups are being
> designated, when obtaining a topology through the prodrg-server?
> We submitted a structure and obtained a starting topology, but it
> seems that the charges are horribly wrong and the designation of the
> charge groups doesn't seem to be very logically and consistent.
>
> Thanks !
>
> Peter
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Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
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