[gmx-users] water simulation

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 25 12:19:01 CEST 2009



abhijit kayal wrote:
> Hi everyone,
>                I am new to the GROMACS.In GROMACS there is a example of 
> water(spc model).But  after the command grompp -the output file 
> water.tpr should generate.But it is not giving the output.So what kind 
> of changes have to be done in grompp.mdp,topol.top, files.Please reply.

No clue.  We can't get inside your head to know what's going on.  Your first 
resources should always be the wiki site:

http://oldwiki.gromacs.org

followed by searching the list archive for your problem:

http://oldwww.gromacs.org/swish-e/search/search2.php

If you cannot find an answer to your problem, then post a *complete* description 
of what's going on - include relevant input/output (exact command line issued, 
the actual error message you received, etc).  Until then, you won't get any 
useful advice.

-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