On 22/04/2012 2:02 AM, vineetha mandlik wrote:
---------- Forwarded message ----------
From: *vineetha mandlik* <vinee2h...@gmail.com
<mailto:vinee2h...@gmail.com>>
Date: Sat, Apr 21, 2012 at 9:22 PM
Subject: help
To: gmx-users-requ...@gromacs.org <mailto:gmx-users-requ...@gromacs.org>
Respected Sir/Madam
I am new to gromacs and on giving the grompp command after genion
command I am getting the following error:
You need to provide us with copies of those commands for us to be able
to help you.
Even after running the genion command and adding 4 Na+ ions before the
grompp command i still get
Note: the system has non zero charge: -4.99998e+0.0 and then this error..
Number of coordinates in coordinate file (x_b4em.gro,24736) does not
match topology (x.top,247535).
so can you help me in resolving this issue..
Why does your topology have a factor of 10 more atoms than your
coordinate file?
Mark
Any help in this regard will be highly appreciated.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
