[gmx-users] spc model of water

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 24 16:05:09 CEST 2009



abhijit kayal wrote:
> Hi,
>     Myself Abhijit Kayal.Please anyone can give me the right 
> topology,grompp and conf file of spc model of water.

The coordinate and topolgy file for SPC water is provided in the /share/top 
subdirectory of your Gromacs installation.  There is no standard grompp input 
file; you must choose the parameters for the system you are trying to simulate.

-Justin

>                                                                   
> Abhijit Kayal
>                                                                     IIT 
> Delhi
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.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

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list