hi
I just reinstalled ambertools - ambertool11 and generated a pdbfile from a
small minimization
ambpdb -p new.prmtop < min.rst > min.pdb
when I load the new pdbfile into xleap I get the following
Created a new atom named: H within residue: .R<NASP 1>
and furthermore some hydrogen water residues are unrecognized
Created a new atom named: H within residue: .R<WAT 1517>
the test went ok without errors in the installation process.
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Received on Tue Aug 17 2010 - 06:00:04 PDT
