[gmx-users] Justin umbrella sampling tutorial......
Justin A. Lemkul
jalemkul at vt.edu
Wed May 23 18:15:09 CEST 2012
On 5/23/12 3:48 PM, rama david wrote:
> Hi Gromacs Friends,
> I am performing justin tutorial for umbrella sampling ..
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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