[gmx-users] merging chains in gromos43a1p

Jayant James jayant.james at gmail.com
Wed Dec 3 22:52:51 CET 2014

I was wondering if there is the -merge option in pdb2gmx in gromacs 4.5.4?
It some how seems like version 4.5.4 that I have for simulating
phosphorylated serines does not have this option.
Since I am trying to simulate a protein that has three chains comprised
into one protein I normally prefer to number them sequentially. The
sequential numbering helps in indexing for simulated annealing because it
is easy to choose the amino acids that I need to heat and cool.
Thank you
Jayant James

Jayasundar Jayant James


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