For your second problem: you have to create this file by writing the group
numbers, which inform the script to decide which two groups to be selected for
distance calculation.
If you made it, you first problem would probably be solved.
Good luck,
Jiangfeng.
Jiangfeng Du, PhD Student
Cardiovascular Research Institute Maastricht
Department of Biochemistry
P.O. Box 616
Mobile: +31-681741859
FAX: +31-43-3884159
6200 MD Maastricht
The Netherlands
Message: 4
Date: Wed, 23 May 2012 19:18:56 +0530
From: rama david <[email protected]>
Subject: [gmx-users] Justin umbrella sampling tutorial......
To: Discussion list for GROMACS users <[email protected]>
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<CAD=-syhie5kxqj9fgdhqykqav0vusyc-atshblgs5cqirfu...@mail.gmail.com>
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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 script
1. After command perl distances.pl I got following message ...
Use of uninitialized value $distance in concatenation (.) or string at
distances.pl line 30.
readline() on closed filehandle IN at distances.pl line 16.
What may be reason for these ..
2. What is the groups.txt ??
Where it will find ?? Why it is needed??
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