[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

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)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100222/c441114b/attachment.html>


More information about the gromacs.org_gmx-users mailing list