Respected Amber users,
i am struggling with iron-sulfur cluster parametrization
i tried ambertools , i got failure
Recently any possibility available to tackle the this
kind preparation inability
Unknown residue: SF4 number: 0 type: Terminal/last
..relaxing end constraints to try for a dbase match
-no luck
Creating new UNIT for residue: SF4 sequence: 507
Created a new atom named: FE1 within residue: .R<SF4 507>
Created a new atom named: FE2 within residue: .R<SF4 507>
Created a new atom named: FE3 within residue: .R<SF4 507>
Created a new atom named: FE4 within residue: .R<SF4 507>
Created a new atom named: S1 within residue: .R<SF4 507>
Created a new atom named: S2 within residue: .R<SF4 507>
Created a new atom named: S3 within residue: .R<SF4 507>
Created a new atom named: S4 within residue: .R<SF4 507>
total atoms in file: 8
The file contained 8 atoms not in residue templates
Any possibility to overcome this
Kindly provide your valuable suggestion
--
Regards,*
*S.VENKATESH,
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Received on Wed Jun 05 2013 - 12:00:03 PDT
