[gmx-users] How to preserve the original sequence number

[Stéphane Téletchéa]

Rui Li a écrit :
> Dear all,
> I ran a simulation of a ligand bound to an enzyme.
> When I check the pdb file,I find the residue sequence number has been modified.
> But I want to preserve the original sequence number.Does anyone knows how I can do
> this ?
> thanks in advance
> 

Have a look on the mailing list for g_desort, see for instance:
http://www.gromacs.org/pipermail/gmx-users/2007-January/025584.html

Cheers,
Stéphane

-- 
Stéphane Téletchéa, PhD.                  http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
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