Dear Carlos,
Thank you for letting me know. It was from one of my previous test runs.
I attach a correct log.
Best wishes,
Dawid
wt., 8 paź 2019 o 19:33 Carlos Simmerling <carlos.simmerling.gmail.com>
napisał(a):
> for some reason in your leap.log file I see this:
> #parm99 = loadamberparams parm99.dat
>
> it isn't that way in the files you sent though. do you know why this line
> was commented? parm99.dat has the vdw parameters.
>
> On Tue, Oct 8, 2019 at 12:04 PM Dawid das <addiw7.googlemail.com> wrote:
>
> > Dear Amber Users,
> >
> > I am trying to generate topology and parameters files for a protein
> > containing my own amino acid (unit).
> >
> > I attach my tleap.in, PDB and leap.log files together with some
> parameter
> > files I use as the input.
> >
> > The issue is that I get an error saying that vdW parameters are missing
> > for virtually every atom even though I can see them correctly defined
> > in leaprc.ff99SBildn and parm99.dat. What could be the problem?
> >
> > Best regards,
> > Dawid Grabarek
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> >
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Received on Tue Oct 08 2019 - 11:30:03 PDT
