[gmx-users] grommp & coordinate numbers

Bo Yang n62star at yahoo.com
Wed Dec 1 01:34:29 CET 2004


I try to run the energy minimixzation with my protein
model. I generated the coordinate files using pdb2gmx
by chosing '0' force filed, and solvated it using
'editconf' (-d 0.5) and 'genbox'. When I try to run
'grompp', it complains:

processing topology...
processing coordinates...
Fatal error: number of coordinates in coordinate file
(n62.gro, 17981)

does not match topology (n62.top, 0)

I checked the mail list. Some one had similar problem.
But I can't find the answer for it. I am a new user of
Gromacs. I don't understand the problem presenting
here. Since the .top and .gro files are generated from
the same .pdb file. Why they don't have the same
coordinates numbers. Could any one give me some

Thank you for your help!


Do you Yahoo!? 
Meet the all-new My Yahoo! - Try it today! 
-------------- next part --------------
A non-text attachment was scrubbed...
Name: grommp-113004-2
Type: application/octet-stream
Size: 10349 bytes
Desc: grommp-113004-2
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20041130/7d94df0f/attachment.obj>

More information about the gromacs.org_gmx-users mailing list