[gmx-users] simulation popc

[Itamar Kass]

Shalom Pragya,

I wonder if the 'grompp' program finished properly after it gives you 
this message? If not, please send the command you used and the output 
you got from it.


Best,
Itamar

pragya chohan wrote:
> hi i m pragya, i found this article .... i used ffG43a1 and got this 
> error when ran grompp:
> Atomtype 'CA' not found! . i m using popc128a.pdb from tieleman site and 
> m using "lipid.itp"
>  
> #include "ffG43a1.itp"
> #include "lipid.itp"
> #include "popc.itp"
> #ifdef FLEX_SPC
> #include "flexspc.itp"
> #else
> #include "spc.itp"
> #endif
> #ifdef POSRES_WATER
> ; Position restraint for each water oxygen
> [ position_restraints ]
> ;  i funct       fcx        fcy        fcz
>    1    1       1000       1000       1000
> #endif
> ; Include generic topology for ions
> #include "ions.itp"
> [ system ]
> ; Name
> Pure DPPC bilayer with 128 lipids and 3655 water molecules
> [ molecules ]
> ; Compound        #mols
> POPC              128
> SOL               2460
> ------------------------------------------------------------------------
> 
> 
> ------------------------------------------------------------------------
> Windows Live Spaces is here! It’s easy to create your own personal Web 
> site. Check it out! <http://spaces.live.com/?mkt=en-in>
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

-- 
"Prediction is very difficult, especially about the future" - Niels Bohr

===========================================
| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
|
| Molecular Dynamics Group
| School of Molecular and Microbial Sciences (SMMS)
| Chemistry Building (#68)
| The University of Queensland
| St. Lucia Campus, Brisbane, QLD 4067
| Australia
|
| Tel: +61 7 3365 9922
| Fax: +61 7 3365 3872
| E-mail: ikass at uq.edu.au
| Web page: http://compbio.chemistry.uq.edu.au/md/ikass/
============================================

Unless stated otherwise, this e-mail represents only the views of the 
Sender and not the views of The University of Queensland