[gmx-users] Disulphide bonds

[Cesar Araujo]

Hi,   Anybody knows if there is some way to tell pdb2gmx to recognize automatically S-S bonds and not through the modification of specbond.dat file and -ss option???   Regards, César.-   ----------------------------------------------------------- Cesar Araujo, Lic. of Chemistry Department of Molecular Endocrynology Oulu University Hospital FIN-90029 OYS, FINLAND   phone: +358 8 3155632 e-mail: [EMAIL PROTECTED]

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