[gmx-users] Error while using grompp

Sabyasachi Sahoo ssahoo.iisc at gmail.com
Thu Sep 3 16:36:17 CEST 2015


Dear users,
I am trying to go through all the steps given in tutorial "
http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/Topology_preparation%2c_%22What's_in_a_log_file%22%2c_basic_performance_improvements%3a_Mark_Abraham%2c_Session_1A"
and the moment I enter the command:

grompp -f em

I get the following error:

ERROR 1 [file mdout.mdp]:
With Verlet lists only full pbc or pbc=xy with walls is supported

Has this error got something to do with the way I built my Gromacs? Any
help por insight to the matter is appreciated!
Thanks in advance!
-- 
Yours sincerely,
Saby


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