[gmx-users] md with multiple ligands

[Billy Williams-Noonan]

Hi Thanh,

Maybe try to check if the numbering of your atoms in the topology files is
consistent with the .pdb or .gro files they describe.

Billy

On 1 July 2016 at 09:20, Thanh Le <thanh.q.le at sjsu.edu> wrote:

>
> > On Jun 30, 2016, at 3:48 PM, Thanh Le <thanh_le_quoc at yahoo.com> wrote:
> >
> > My name is Thanh Le, a graduate student in chemistry. Currently, I am
> using gromacs to do a dynamics simulation for my RNA-protein complex. I saw
> you posted a question titled “Atoms in the .top are not numbered
> consecutively from 1” on gromacs forum. I know it has been 3 years since
> you asked the question. I would like to know if you have solved the problem
> and how to fix this error?
> > Hope to hear from you soon,
> > Thanks,
> > Thanh Le
>
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