[gmx-users] Re: Problem in Disulfide Bond

parthiban at ncbs.res.in parthiban at ncbs.res.in
Wed Jan 19 14:05:54 CET 2011


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.


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