[gmx-users] Re: Problem in Disulfide Bond

[parthiban at ncbs.res.in]

Hi

I am using a dimer for my simulation system which is connected by 2
disulfide bonds.
After energy minimization for even few cycles, the disulfide bond breaks
which is not expected.
i have applied amber99 force field and prepared the system. while i tried
with another force field in Gromacs which did not worked at all.
also i have tried by editing specbond.dat as well but of no use.
can any one share/discuss some ideas how to fix this.

reg's,
Parthiban.