Dear Sir,
I am unable to save the parameters of a PDB structure in tleap. The
structure has an overall -2 charge which was neutralized with Na+.For your
reference, I am using ff12SB force field in Amber14. It shows the following
error
Checking Unit.
Building topology.
Building atom parameters.
For atom: .R<Na+ 9351>.A<Na+ 1> Could not find vdW (or other) parameters
for type: Na+
For atom: .R<Na+ 9352>.A<Na+ 1> Could not find vdW (or other) parameters
for type: Na+
Parameter file was not saved.
Kindly guide on how to trouble-shoot the error.
Thanks a lot
Regards
Harmeet
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Received on Tue Dec 23 2014 - 03:30:03 PST
