[gmx-users] calculating distances in steered dynamics

Ayesha Fatima ayeshafatima.69 at gmail.com
Tue May 12 15:53:10 CEST 2015

Dear Gromacs Users,
I recently started using gromacs 5.0.4 for SD. I modified a few things here
and there as per changes in gromacs 5.0.4. The SD ran fine. Now I want to
calculate the distances from the conf0.gro file as per Justin's tutorial. I
want to use the distance.pl file but i am not sure of the changes I am
attaching the file with the changes I did. but it is giving me error

"Use of uninitialized value $distance in concatenation (.) or string at
distances.pl line 30."

this is the line for printing out the distances.

How to modify for gromacs 5.0.4?

BTW, Thank you Justin for the advice. I will follow after I complete this

Thank you
Ayesha Fatima
PhD candidate (UM)

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