where are you seeing this error when you try to save? it is true that the
TIP3P water model does not include vdw on the H atom s(but it does on the
O).
this is the way the water model was developed and it should not cause an
error.
On Fri, Feb 19, 2021 at 11:48 AM Swisher, Justin S <
Swisher122.live.missouristate.edu> wrote:
> Hi,
>
> I'm a grad student that is rather new to using the amber program I've been
> working with it for several months now and I have been able to use
> tutorials to solve most of the issues that I'm coming across, but this
> issue I haven't been able to find an answer to and it deals with xleap. I'm
> able to solvate my molecule of interest, but when I go to save the prmtop
> and inpcrd files it says the the vDw information or some other information
> is missing from the oxygen and hydrogens in the water atoms. I am loading
> in the tip3p forcefield and it gives no errors when I load in that
> forcefield file it's only when I try to save it that this issue appears and
> I'm confused as to why there would be missing information in the forcefield
> file if it's solvating the molecule in the first place.
>
> I'm just wondering why this error would be occurring. I appreciate all
> insight you all might have in solving this issue, hopefully I have
> described the problem well enough.
>
> Thank you!
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>
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Received on Fri Feb 19 2021 - 10:00:02 PST
