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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Received on Tue Oct 08 2019 - 11:00:02 PDT
