hhhh huan wrote:
Dear all gmx-users and developers,
The simulation has been carried out and I cant recognize the type of molecule
since there are 6 different type of mlecules in that system.
thanks.
I know I'm still a bit lost as to what the problem is. You've conducted a
simulation, but you don't know what's in the system? Look in the output .gro
file for molecule names. The .top file will have atom types and such.
If this is a visualization problem, have you tried what I suggested to you
earlier?
http://www.gromacs.org/pipermail/gmx-users/2008-August/035723.html
-Justin
--- On Wed, 8/13/08, Florian Haberl <[EMAIL PROTECTED]> wrote:
From: Florian Haberl <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] colour of the molecules
To: [EMAIL PROTECTED], "Discussion list for GROMACS users"
<gmx-users@gromacs.org>
Date: Wednesday, August 13, 2008, 2:28 PM
Hi,
On Wednesday, 13. August 2008, hhhh huan wrote:
Dear all gmx-users and developers,
There are 6 different type of molecules in my
simulation system. So how can
I differentiate o recognize the type of those
molecules? which files
(topology, trr or others) should I look at?
Any suggestions are appreciated.
Thanks
please describe your problem with more details, have you
setup a simulation?
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the
list. Use the
www interface or send it to
[EMAIL PROTECTED]
Can't post? Read
http://www.gromacs.org/mailing_lists/users.php
greetings,
Florian
--
-------------------------------------------------------------------------------
Florian Haberl
Computer-Chemie-Centrum
Universitaet Erlangen/ Nuernberg
Naegelsbachstr 25
D-91052 Erlangen
Telephone: +49(0) − 9131 − 85 26573
Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
