[gmx-users] About EM for Lipid Protein Tutorila
scvsankar_agr at yahoo.com
Thu Oct 18 17:07:20 CEST 2012
Dear Justin Sorry for the inconvenience in the previous Mail .
I am Much obliged for your Previous help
Now I am following Your Lipid Protein Tutorial
I am using DPPC128.pdb And I Have Downloaded the DPPC.itp and topol_DPPC.top When I run the energy Minimization (em.mdp Downloded form your website) for the this Lipid I have got Following error
Warning: 1-4 interaction between 1256 and 1259 at distance 3.831 which is larger than the 1-4 table size 2.200 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
or with user tables increase the table size
I am using Default .itp , .top (Down Loaded from website quoted by you) and Dppc.gro (created by Editconf tool)
Why this error comes ?
I Have not manually constructed .top for lipids May be there are several discussion about this error in Mailing Archive .
Here You Have not mentioned this type of error in your website Where have i committed Mistake?
Thanks In Advance
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