hi, thanks very much!
could you explain more about the electronic parameters to me?
sorry to bother you! If I don't have the periodic bondary
condition, do you know which method and parameters I can use?
And if I want to see how the H-bond break during my simulation, is
it fine to only use these two methods? Or I can combine the H-bond
parameter in the previous force filed with glycam06?
Thanks a lot!
Ying
On Wed Apr 30 13:26:44 EDT 2008, "Austin B. Yongye"
<ayongye.chem.uga.edu> wrote:
> You are right. There are no 12-10 h-bond terms in Glycam06. AMBER
> got rid
> of these. Nonetheless, the electrostatic and vdW parameters in
> Glycam06
> are sufficient to handle h-bonding.
> Austin-
>
>> Hi, Dear Amber users,
>> I implement Glycam06 into another MD code to perform simulation.
>> But I can not find Hydrogen bond terms in Glycam06.dat. Could
>> anybody tell me how can I define the Hydrogen bond parameters
>> when
>> I use Glycam06 forcefield?
>>
>> Thanks very luch!
>>
>> Ying
>> --
>> WANG,YING
>>
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--
WANG,YING
Mechanical and Aerospace Engineering
University of Florida
Office: NEB 139
TEL: 001-352-846-3030
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Received on Sun May 04 2008 - 06:07:14 PDT
