[gmx-users] error during minimization

[Venkat Reddy]

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

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
Chennai
INDIA-600036