[gmx-users] pdb2gmx

[Tsjerk Wassenaar]

Hi Simon,

pdb2gmx takesthe first structure. Taking an average would ba awkward, as it
is unlikely to correspond to a real structure.

Cheers,

Tsjerk

On Jun 30, 2011 6:02 PM, "simon sham" <ssham44 at yahoo.com> wrote:

Hi,
I have a question about pdb2gmx. If a pdb file contains a multiple
structures, will it average the coordinates or just pick one of the
structures to convert?

Thanks for your insight.

Simon

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