Hi

I am a new Gromacs user.I am trying to study the adsorption of proteins
on graphite surface.In mdp file I took the option pbc=full. When I am
running a simulation for 5 ns, I am getting the output with out any
warning. But when I am analysing the results using h_bond , g_gyrate and
do_dssp, I am getting the following warning.

There were 900 inconsistent shifts. Check your topology.

 I think that my topology-file for infinite graphite surface is correct
and I
would like to know what does this "warning" really mean and can I trust
the
results  anyway?

Regards

Ramesh
_______________________________________________
gmx-users mailing list    [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to