AMBER Archive (2009)

Subject: [AMBER] Could not find type: MG Parameter file was not saved.

• Previous message: Mengjuei Hsieh: "Re: [AMBER] errors of PMEMD installation"
• In reply to: vallespardojl_at_chem.leidenuniv.nl: "[AMBER] loading a mol2 file in xleap"
• Next in thread: Mannan: "[AMBER] Could not find type: MG Parameter file was not saved. though it was loaded"
• Reply: Mannan: "[AMBER] Could not find type: MG Parameter file was not saved. though it was loaded"
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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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• Previous message: Mengjuei Hsieh: "Re: [AMBER] errors of PMEMD installation"
• In reply to: vallespardojl_at_chem.leidenuniv.nl: "[AMBER] loading a mol2 file in xleap"
• Next in thread: Mannan: "[AMBER] Could not find type: MG Parameter file was not saved. though it was loaded"
• Reply: Mannan: "[AMBER] Could not find type: MG Parameter file was not saved. though it was loaded"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]