[gmx-users] Disulphide bonds
cesar.araujo at oulu.fi
Tue Aug 1 12:47:36 CEST 2006
Cesar Araujo wrote:
> Anybody knows if there is some way to tell pdb2gmx to
> recognize automatically S-S bonds and not through the modification of
> specbond.dat file and -ss option???
it does if they are within the normal distance. are your pdb files ok?
I want to force some disulphide bond and simulate the structure to compare
both (with and without the S-S bond). I was wondering if GROMACS can use
SSBOND in pdb files directly. I'm writing some scripts using Expect language
but at the moment I'm stucked with some TCL stuff.
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