[gmx-users] Justin umbrella sampling tutorial......

[Justin A. Lemkul]

On 5/23/12 3:48 PM, rama david wrote:
> Hi Gromacs Friends,
>
>     I am performing justin tutorial for umbrella sampling ..
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/05_pull.html
> I encounter with following problem while using the disatances.pl
> <http://disatances.pl> script
>
> 1. After command perl distances.pl <http://distances.pl>  I got following
> message ...
>
>
>     Use of uninitialized value $distance in concatenation (.) or string at
> distances.pl <http://distances.pl> line 30.
>     readline() on closed filehandle IN at distances.pl <http://distances.pl>
> line 16.
>    What may be reason for these ..

The required input doesn't exist.  Either you omitted a step or you're executing 
the script in the wrong directory.

> 2. What is the groups.txt ??
>     Where it will find ?? Why it is needed??
>

This is stated in the tutorial.

-Justin

-- 
========================================

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

========================================