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
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Received on Wed Nov 07 2012 - 11:30:05 PST
