Hi again
ok then, that looks like atom types issue. just try to be careful with
atom types. if you want you can read the this tutorial briefly
"
http://ambermd.org/tutorials/advanced/tutorial1/", i believe it will
give you a better understanding of what is going on. again you may
need a .frcmod file for your molecule. in fact in this tutorial there
is an example .frcmod file. you can take a look at it and then you can
create your own .frcmod file, in case you need it.
regards
peker
On Wed, Jan 5, 2011 at 1:04 AM, Shesh Nath <sheshnath65.gmail.com> wrote:
> Problem is that
> when I am loading pdb file in xleap, it is showing that
> leap added 122 missing atoms according to residues templates
> 42 heavy
> 80 H / lone pairs
> The file contained 120 atoms not in residue templates.
>
>
>
> --
> SHESH NATH
> RESEARCH SCHOLAR,
> THEORETICAL CONDENSED MATTER PHYSICS,
> DEPARTMENT OF PHYSICS,
> BANARAS HINDU UNIVERSITY,
> VARANASI-221005
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> AMBER.ambermd.org
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>
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Received on Tue Jan 04 2011 - 22:30:03 PST
