Hi,
It looks like you're using CO, but should be using C0 (number 0, not letter
O). ff12SB but not ff99SB looks to have an atom type CO for sp2 carbon, so
that might be what was being parsed into your prmtop file. Calcium has
atomtype C0 in both force fields, so should work.
HTH,
Tim
On Wed, Nov 7, 2012 at 2:28 PM, manikanthan bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> Dear All,
>
> I am analyzing the dynamics of a protein which has two Ca+2 ions using
> ff99SB and ff12SB with amber12. I have prepared the Ca2.lib file
> using xleap. I could able to save prmtop and inpcrd file for ff12SB.
> But when I am uploading same lib file in tleap for ff99SB. I am unable
> to generate prmtop and inpcrd files. It is showing the following
> error:
>
>
> For atom: .R<Ca2 356>.A<Ca 1> Could not find type: CO
> For atom: .R<Ca2 357>.A<Ca 1> Could not find type: CO
>
> Do I have to load any other lib files in xleap for ff99SB?
>
> mani
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 07 2012 - 12:00:02 PST
