[gmx-users] problem running grompp - error message here

[Justin A. Lemkul]

victor doss wrote:
> Hello,
> 
> when I run grompp  I get the following error message always. Whoever 
> has  a correct fix to get rid of this error message and get the actual 
> result,  Please suggest.
> 
> Thanking you
> 
> 
> Dr. Victor A. Doss
> 
> 
> processing topology...
> Generated 332520 of the 332520 non-bonded parameter combinations
> Generating 1-4 interactions: fudge = 0.5
> Generated 332520 of the 332520 1-4 parameter combinations
> Excluding 3 bonded neighbours for Protein_A 1
> Excluding 2 bonded neighbours for SOL 82
> Excluding 2 bonded neighbours for SOL 9514
> NOTE:
>   System has non-zero total charge: 8.000000e+00
> 
> processing coordinates...
> double-checking input for internal consistency...
> 
> -------------------------------------------------------
> Program grompp, VERSION 3.3.3
> Source code file: ../../../../src/kernel/grompp.c, line: 1134
> 
> Fatal error:
> There were 3 error(s) processing your input
> -------------------------------------------------------
> 
> "Can't You Make This Thing Go Faster ?" (Black Crowes)
> 

The error messages themselves are actually printed above in the grompp output. 
Those are what you need to solve.  Search the list archive for the error 
messages, as well as the wiki site.

-Justin

> dv at dv-laptop:~/g
> 
> 
> ------------------------------------------------------------------------
> Twice the fun— Share photos while you chat with Windows Live Messenger. 
> <http://www.microsoft.com/india/windows/windowslive/messenger.aspx>
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> 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

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

Justin A. Lemkul
Graduate Research Assistant
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

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