>
>1.How to build dynamics input for guanine with tleap ?
>
I think a good guide step-by-step to this question would be repeating some
AMBER tutorials on the web.
>When i try to make input form standard guanine pdb generated from HyperChem
>i get that error
>
> DG = loadpdb dg.pdb
>Loading PDB file: ./dg.pdb
> total atoms in file: 33
> Leap added 1 missing atom according to residue templates:
> 1 H / lone pairs
>
This is not an error, perhaps. Leap just adds any atoms which are missing.
>2.What method is used to calculation energy of solwatation ?
You can use several programs, the more popular being DelPhi, to solve
Poisson Boltzmann eqn. which can give you reliable electrostatic
contribution to the free energy of solvation...
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Received on Thu Feb 24 2005 - 14:53:01 PST
