[gmx-users] Multiple peptides

neda mirsamadi nedamirsamadi at yahoo.com
Sat Dec 6 21:54:01 CET 2003


Hi Aswin
Suppose u have 3 peptide, u should simply concatenate
3 PDBs and call them chain A, Chain B, Chain C.
GROMACS automatically takes care of them.
See FAQ GROMACS " My protein has multiple subunits. Is
that a problem? ".
Cheers
NEDA
--- Aswin Narain <aswin_biogenie at yahoo.co.uk> wrote:
> Hi all
> 
> If I want to simulate more than one peptide in the
> same box, do I simply concatenate the input pdbs or
> is
> there something more to it.
> 
> Pls explain.
> 
> Aswin
> 
> 
> 
> 
> =====
>  Aswin Sai Narain. S
> Student
> Centre for Biotechnology
> Anna University
> Chennai 25
> Residence
> 20, 3rd main road
> Nanganallur
> Chennai 61
> 
> 
> 
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