[gmx-users] reg minimization problem

[Justin Lemkul]

On 2/6/13 2:41 AM, Subramaniam Boopathi wrote:
> Dear sir,
>        i have running new molecules add in standard protein that new is
> morin molecules unfortunetly 102 error occur
> which is no defualt angle found , etc. i overcome this problem but one more
> new appear which is shown below
>   could you help me to overcome these following errror
> 26 atoms are not part of any of the T-Coupling groups
> can you tell what is the necessary steps carry to overcome this mistake
>

Make sure whatever your tc-grps are cover all the molecules in the system.  You 
haven't shown us what you're doing, so no one can suggest an actual fix.

-Justin

-- 
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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

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