Dear Experts,
I am trying model glycolipid in amber12. Previously I used amber9 to model glycolipid about 5 years ago. Now I am trying to build the same system in amber12.
When I use a script to load which contain lines as blow:
source leaprc.ff99SB
glycam06 = loadamberparams Glycam_06f.dat
loadamberprep branchedMaltose2.prepin
the xleap opens all the libraries without any warnings.
Next, when I loadpdb in xleap, I get lot of warnings such as
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-C23-C24-*
+--- With Sp0 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
+Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
+---Tried to superimpose torsions for: *-C22-C23-*
+--- With Sp0 - Sp0
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
What this means? Is this serious matter to pay attention?
If I open the picture in (edit <unit>), there figure is witout any error or warning.
Thanks in advance.
regards
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Tue Dec 18 2012 - 09:00:02 PST
