[gmx-users] Can I take any conformational sub state from REMD

[Seera Suryanarayana]

Dear gromacs users

I have 20 residues length of peptide and it has some helix content. I have
done REMD (with lower temperature range 300K and upper temperature 450K) to
denature the helix. I gave desired exchange probability 0.25 and I got 30
temperature points  and I did REMD simulations all 30 replicas. The helix
is disappeared in the most of temperatures. Here my question comes. Can I
take any conformational sub state from the REMD ensemble to do simulations
with mutated residues?

Thanks in advance
Surya
Graduate student
India.