[gmx-users] Re: Coarse grain simulation

Sarath Kumar bskumar.tech at gmail.com
Mon Feb 22 13:47:11 CET 2010

I m trying to reproduce the same thing, by following the tutorial.
i m trying to learn the coarse grain simulation with their files, so that i
can apply for my protein.
Starting with lipids, as per their tutorial
I m just doing the steps in that tutorial, with their files,
after the genbox,

genbox -ci dspc_single.gro -nmol 128 -box 7 7 7 -try 100 -o 128_noW.gro


grompp -f em.mdp -c 128_noW.gro -p dspc.top -maxwarn 10

shows the error, number atoms doesnt match,as

Fatal error:
number of coordinates in coordinate file (128_noW.gro, 1400)
             does not match topology (dspc.top, 1792)
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