[gmx-users] error during minimization

[Justin Lemkul]

On 11/27/12 4:31 AM, Shine A wrote:
> Sir,
>
>     I am studying the dynamics of membrane proteins using KALP-15 in DPPC.
> But during minimization (after shrinking), getting error like this.
>   Fatal error:
>   Invalid line in system_shrink26.gro for atom 8703:
>      6.4140   6.44350  6.59650.why this error?plz give me a solution to
> overcome it.
>

The program is complaining that it is looking for an atom and finding box 
vectors.  That indicates a mismatch between the number of atoms (specified on 
the second line of the .gro file) and the actual number of atoms.

-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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