[gmx-users] Decouple

[Justin Lemkul]

On 6/20/13 5:01 PM, Hari Pandey wrote:
> Hi ,
>
> How do I  solve this problem in GROMACS:
>
> I have a system with 3 part A,B and C
>
> I have to put thermostat for A and C but not for  B.
> Gromacs   display error, what is temperature for B.
>
>
> How do aI decouple part B
>

Per the manual:

"tau-t: [ps]
time constant for coupling (one for each group in tc-grps), -1 means no 
temperature coupling"

-Justin

-- 
========================================

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

========================================