[gmx-users] tau_t and tau_p values

[Justin A. Lemkul]

Justin A. Lemkul wrote:
> 
> 
> Shyno Mathew wrote:
>> Hello,
>>
>> I am little confused about the values to be used for tau_t and tau_p.
>> For sd integrator, the manual suggest to use tau_t as 2 ps and the 
>> default value for tau_p is 1 ps. I am using PME for electrostatics
>> But I read in the mailing list that tau_p has to be higher than tau_t. 
>> can some one comment on this issue?
>>
> 
> Do not confuse "default" with "recommended" for any parameter.  Some 
> values are set based on common usage, others are set based on certain 
> assumptions.  The tau_* values are time constants for their respective 
> algorithms.  You should decide on the parameters to use based on your 
> knowledge of the algorithms you seek to you.
> 

"...seek to use."  Apparently I cannot proofread today ;)

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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