so if I understand correctly, you have 2 runs using the same prmtop and
inpcrd, and one works while the other gives the mismatch error.
I don't see anything obvious, maybe other will notice a problem?
there are several other differences in your inputs for the 2 runs, maybe
you can try to make sure the mdin input is identical other than the added
restraint?
also is the mismatch error reproducible if you run it again?
On Mon, Jan 4, 2021 at 5:09 AM MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
wrote:
> Hi Carlos,
>
> Ok, I have attached both files (min_wat and min_all).
>
>
> Thanks in advance
>
>
> Myriam
>
> Carlos Simmerling <carlos.simmerling.gmail.com> escribió:
>
> > can you include the entire output from the min step?
> >
> > On Sun, Jan 3, 2021 at 12:19 PM MYRIAN TORRES RICO <
> > myriam.torres.iiq.csic.es> wrote:
> >
> >>
> >> Hi alls,
> >>
> >> What does this error means?, I'm using AMBER16 and in the min_all step
> >> simulation appears:
> >>
> >> New format PARM file being parsed.
> >> | Version = 1.000 Date = 06/18/19 Time = 16:03:32
> >> | ERROR: natom mismatch in inpcrd/restrt and prmtop files!
> >>
> >> I check the file.top and file.crd and the natoms is the same...I have
> >> attached as photo; any idea?
> >>
> >>
> >> Thanks in advance,
> >>
> >>
> >> Myriam
> >>
> >>
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Received on Mon Jan 04 2021 - 06:00:04 PST
