[gmx-users] PTM force field
xubest at gmail.com
Wed Dec 17 22:39:18 CET 2014
Dear GMX Users,
I am trying to simulate a protein with a cysteine sulfenic acid (Cys-SOH).
I notice that both AMBER and GROMOS force field should have the parameters
for residues having post-translational modifications :
PTM-GROMOS can be downloaded and used in GROMACS without problems. However,
looks like the PTM-AMBER force field can only be used in AMBER package, it
it correct? For some historical reasons, I am looking for the possibility
to consistently use AMBER force field. I was wondering whether PTM-AMBER is
ready yet for GROMACS?
If this is not ready, are there any other options that I have (besides
PTM-GROMOS) in order to simulate cysteine sulfenic acid?
Thank you very much!
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