[gmx-users] Re:provide opt way to perform simulation for protein and peptide -reg

[venkatesh s]

Respected gromacs Users,
                                   I want perform protein (only one chain)
+ peptide (five amino acid) simulation to understand interaction between
both (can say what role are playing peptide with protein  )
so i did   like this pdb2gmx -f prot.pdb -o pro.gro -water tip3p -ignh
-chainsep ter
but in my .top file

[ molecules ]
; Compound        #mols
Protein_chain_A     1

Question

1. its shows only one chain actually want show 2 chains, but  why it shows
1 chain ?

and may i want know above mentioned way of  doing protein+ peptide
molecular dynamics is correct?

2. other than that what else method or way is there perform protein peptide
MDS  kindly let me know?

Heartiest Thanks in Advance


-- 
*S.VENKATESH,*