[gmx-users] pdb file format

[Eric Germaneau]

Hello,

Does someone can explaine to me how to set a pdf file?
In fact I'm able to get it, but I don't what I should put for the 
"resName" column. I'm studing an organic molecular crystal, I use babel 
to convert a shelx file,  and it put "UNK" for the "resName" column. It 
seems that pdb2gmx doesn't like that ...
Thank you.
Regards,


                    Eric Germaneau.

-- 
Eric Germaneau

Assistant Doctorant

Laboratoire de Cristallographie <http://lcr.epfl.ch>
EPFL - SB - IPMC
BSP 518
CH-1015 Lausanne
Switzerland

Eric.Germaneau at epfl.ch <mailto:eric.germaneau at epfl.ch>
http://wwwpeople.unil.ch/eric.germaneau/

Tel.: +41 (0)21 / 6 93 06 36
Fax.: +41 (0)21 / 6 93 05 04
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