[gmx-users] error during minimization

Venkat Reddy venkat4bt at gmail.com
Tue Nov 27 12:53:54 CET 2012

Probably..there is a problem in spacing at the bottom of your gro file. The
line mentioning the vectors should be like this

5012OB    C49   47   1.088   1.094   2.775

   0.00000   0.00000   0.00000

On Tue, Nov 27, 2012 at 3:01 PM, Shine A <shine.a at iisertvm.ac.in> 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.
> --
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With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras

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