I don't see any indication that tleap actually failed. There are
errors/warnings that you may want to look into (did you mean to have a
non-integral charge?), but the prmtop/inpcrd *should* have been built based
on the leap.log file you attached, I think (nowhere does it say NOT building
prmtop).
Good luck,
Jason
On Sun, Jul 17, 2011 at 3:27 AM, hai wei <weihy61.gmail.com> wrote:
> Dear Amber community:
>
> I tried to do a MD simulation with a protein on top of Graphene sheet.
> WHen I use tleap to generate prmtop and inpcrd file just load Graphene.pdb.
> It works fine,
> when I use tleap to generate prmtop and inpcrd file just load protein.pdb
> It
> workd fine,
> While tleap seems to can not save prmtop and inpcrd file when I put
> Graphene.pdb and protein.pdb together, Can someone instruct me how to solve
> the problem?
>
> I have attached the leap.log file in the attachment file.
>
> Thanks ,
>
> haiya
>
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>
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Jul 17 2011 - 04:00:02 PDT
