[gmx-users] unable to run energy minimization on short peptide

Jaimin Shah jaimin at iitb.ac.in
Thu Jan 27 11:14:16 CET 2005

Dear Users:

Please suggest the solution to the following error that occurs when I run 
grompp -v -f em -c b4em -o em -p speptide
in one of the steps in the simulation of Ribonuclease S-peptide (the
examples section of the tutorial):

ERROR: One of the box vectors is shorter than twice the cut-off length.
Increase the box size or decrease rlist.
Fatal error: There was 1 error
[guest at localhost speptide]$

Jaimin Shah
Junior Research Fellow
Dr. Dulal Panda's Laboratory
School of Biosciences & Bioengineering
I.I.T. Bombay

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