Dear Ilyas,
Thank you again for your reply. I will go through the literature and try
to see if there is any similar structure. I hope I get something !
Thanks again for your help.
-Priti
> Dear Priti,
>
> This is a very hard subject; how to find/define the missing parameters.
> You may find a similar structure in literature, or in AMBER, which is
> similar to your non-standart residue, and then assume that the equilibrium
> bond lengths, angles, the force constants, etc., are same as the similar
> structure. Other than that, the hardest way is to calculate the missing
> parameters, which needs x-ray structure, MD simulations, etc. I would
> suggest u to first scan the literature and see if there is any similar
> structure. If yes, use those parameters in your structure. Good luck...
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Received on Sat Jan 14 2006 - 06:10:06 PST
