[gmx-users] reg minimization problem

Justin Lemkul jalemkul at vt.edu
Wed Feb 6 12:10:24 CET 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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