Dear AMBER users,
I have loaded MG.off. Though tleap recognised the MG.off, It gives error.
source leaprc.ff94
loadamberparams gaff.dat
loadoff MG.off
I am getting the following error,
Loading library: ./MG.off
Leap added 2417 missing atoms according to residue templates:
2 Heavy
2415 H / lone pairs
Checking Unit.
WARNING: The unperturbed charge of the unit: -1.000000 is not zero.
-- ignoring the warning.
Building topology.
Building atom parameters.
For atom: .R<MG 301>.A<MG 1> Could not find type: MG
Parameter file was not saved.
Any help is greatly appreciated.
Thomas
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Received on Sun Jul 26 2009 - 01:07:47 PDT
